USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 877 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 CYS SG : rot 170:sc= -0.236 USER MOD Set 1.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 162:sc= -2.21 (180deg=-3.45!) USER MOD Single : A 10 ASN : amide:sc= -12.6! C(o=-13!,f=-8.6!) USER MOD Single : A 11 CYS SG : rot -68:sc= -1.48 USER MOD Single : A 16 ASN : amide:sc= 0.577 K(o=0.58,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 52:sc= 0.258 USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= -0.114 (180deg=-0.269) USER MOD Single : A 30 LYS NZ :NH3+ 129:sc= -0.141 (180deg=-0.496) USER MOD Single : A 33 ASN : amide:sc= -0.169 K(o=-0.17,f=-4.4!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= -3! (180deg=-3.2!) USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= -1.79 (180deg=-1.91) USER MOD Single : A 45 ASN : amide:sc= -0.0266 K(o=-0.027,f=-2.3!) USER MOD Single : A 56 ASN : amide:sc=-0.00131 X(o=-0.0013,f=0) USER MOD Single : A 58 CYS SG : rot 180:sc= -1.01 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.0069) USER MOD Single : A 70 GLN : amide:sc= -0.358 K(o=-0.36,f=-1.6) USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 93:sc= 1.28 USER MOD Single : A 87 TYR OH : rot -7:sc= -0.186 USER MOD Single : A 89 SER OG : rot -37:sc= 0.228 USER MOD Single : A 90 SER OG : rot 160:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -163:sc= -0.0798 (180deg=-0.274) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.97 USER MOD Single : A 109 HIS : no HD1:sc= -0.57 X(o=-0.57,f=-0.91) USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 2.448 -1.056 -1.057 1.00 35.22 N ATOM 19 CA ALA A 2 3.249 -2.256 -1.265 1.00 34.02 C ATOM 20 C ALA A 2 3.354 -3.075 0.017 1.00 2.34 C ATOM 21 O ALA A 2 3.308 -2.528 1.120 1.00 75.44 O ATOM 22 CB ALA A 2 4.634 -1.884 -1.771 1.00 63.25 C ATOM 0 HA ALA A 2 2.752 -2.869 -2.017 1.00 34.02 H new ATOM 0 HB1 ALA A 2 5.222 -2.790 -1.922 1.00 63.25 H new ATOM 0 HB2 ALA A 2 4.544 -1.348 -2.716 1.00 63.25 H new ATOM 0 HB3 ALA A 2 5.130 -1.248 -1.038 1.00 63.25 H new ATOM 28 N SER A 3 3.496 -4.388 -0.134 1.00 41.41 N ATOM 29 CA SER A 3 3.604 -5.282 1.012 1.00 34.24 C ATOM 30 C SER A 3 2.282 -5.354 1.771 1.00 2.35 C ATOM 31 O SER A 3 1.537 -6.325 1.653 1.00 70.41 O ATOM 32 CB SER A 3 4.718 -4.813 1.949 1.00 23.03 C ATOM 33 OG SER A 3 5.794 -5.735 1.964 1.00 63.13 O ATOM 0 H SER A 3 3.539 -4.856 -1.039 1.00 41.41 H new ATOM 0 HA SER A 3 3.846 -6.278 0.642 1.00 34.24 H new ATOM 0 HB2 SER A 3 5.078 -3.835 1.630 1.00 23.03 H new ATOM 0 HB3 SER A 3 4.323 -4.694 2.958 1.00 23.03 H new ATOM 0 HG SER A 3 6.494 -5.411 2.569 1.00 63.13 H new ATOM 39 N GLY A 4 1.999 -4.316 2.553 1.00 54.22 N ATOM 40 CA GLY A 4 0.768 -4.280 3.321 1.00 54.34 C ATOM 41 C GLY A 4 -0.445 -3.986 2.459 1.00 25.01 C ATOM 42 O GLY A 4 -0.954 -2.866 2.455 1.00 35.10 O ATOM 0 H GLY A 4 2.600 -3.500 2.668 1.00 54.22 H new ATOM 0 HA2 GLY A 4 0.629 -5.237 3.824 1.00 54.34 H new ATOM 0 HA3 GLY A 4 0.850 -3.520 4.098 1.00 54.34 H new ATOM 46 N MET A 5 -0.906 -4.994 1.726 1.00 20.13 N ATOM 47 CA MET A 5 -2.066 -4.838 0.856 1.00 1.33 C ATOM 48 C MET A 5 -3.347 -4.717 1.675 1.00 12.21 C ATOM 49 O MET A 5 -3.632 -5.557 2.528 1.00 41.42 O ATOM 50 CB MET A 5 -2.172 -6.022 -0.106 1.00 63.12 C ATOM 51 CG MET A 5 -0.831 -6.479 -0.657 1.00 63.20 C ATOM 52 SD MET A 5 -0.341 -8.100 -0.036 1.00 41.35 S ATOM 53 CE MET A 5 1.365 -8.168 -0.577 1.00 44.30 C ATOM 0 H MET A 5 -0.494 -5.927 1.717 1.00 20.13 H new ATOM 0 HA MET A 5 -1.936 -3.922 0.280 1.00 1.33 H new ATOM 0 HB2 MET A 5 -2.647 -6.857 0.409 1.00 63.12 H new ATOM 0 HB3 MET A 5 -2.822 -5.748 -0.937 1.00 63.12 H new ATOM 0 HG2 MET A 5 -0.882 -6.511 -1.745 1.00 63.20 H new ATOM 0 HG3 MET A 5 -0.067 -5.748 -0.395 1.00 63.20 H new ATOM 0 HE1 MET A 5 1.895 -8.936 -0.014 1.00 44.30 H new ATOM 0 HE2 MET A 5 1.400 -8.407 -1.640 1.00 44.30 H new ATOM 0 HE3 MET A 5 1.839 -7.202 -0.407 1.00 44.30 H new ATOM 63 N GLY A 6 -4.117 -3.666 1.410 1.00 50.51 N ATOM 64 CA GLY A 6 -5.358 -3.454 2.131 1.00 35.42 C ATOM 65 C GLY A 6 -6.576 -3.837 1.314 1.00 53.14 C ATOM 66 O GLY A 6 -7.126 -3.013 0.583 1.00 53.13 O ATOM 0 H GLY A 6 -3.903 -2.957 0.708 1.00 50.51 H new ATOM 0 HA2 GLY A 6 -5.344 -4.037 3.052 1.00 35.42 H new ATOM 0 HA3 GLY A 6 -5.433 -2.405 2.419 1.00 35.42 H new ATOM 70 N VAL A 7 -6.999 -5.091 1.435 1.00 25.51 N ATOM 71 CA VAL A 7 -8.159 -5.582 0.701 1.00 63.11 C ATOM 72 C VAL A 7 -9.453 -5.030 1.286 1.00 14.34 C ATOM 73 O VAL A 7 -9.827 -5.357 2.413 1.00 63.41 O ATOM 74 CB VAL A 7 -8.219 -7.121 0.711 1.00 73.15 C ATOM 75 CG1 VAL A 7 -7.119 -7.704 -0.163 1.00 21.54 C ATOM 76 CG2 VAL A 7 -8.118 -7.649 2.134 1.00 52.04 C ATOM 0 H VAL A 7 -6.555 -5.786 2.035 1.00 25.51 H new ATOM 0 HA VAL A 7 -8.052 -5.237 -0.327 1.00 63.11 H new ATOM 0 HB VAL A 7 -9.179 -7.433 0.300 1.00 73.15 H new ATOM 0 HG11 VAL A 7 -7.177 -8.792 -0.144 1.00 21.54 H new ATOM 0 HG12 VAL A 7 -7.243 -7.352 -1.187 1.00 21.54 H new ATOM 0 HG13 VAL A 7 -6.147 -7.386 0.215 1.00 21.54 H new ATOM 0 HG21 VAL A 7 -8.162 -8.738 2.122 1.00 52.04 H new ATOM 0 HG22 VAL A 7 -7.174 -7.329 2.575 1.00 52.04 H new ATOM 0 HG23 VAL A 7 -8.946 -7.259 2.726 1.00 52.04 H new ATOM 86 N ASP A 8 -10.135 -4.191 0.514 1.00 4.52 N ATOM 87 CA ASP A 8 -11.390 -3.593 0.955 1.00 24.03 C ATOM 88 C ASP A 8 -12.575 -4.220 0.228 1.00 31.25 C ATOM 89 O ASP A 8 -12.400 -4.967 -0.734 1.00 13.03 O ATOM 90 CB ASP A 8 -11.371 -2.082 0.718 1.00 71.22 C ATOM 91 CG ASP A 8 -11.398 -1.292 2.012 1.00 62.44 C ATOM 92 OD1 ASP A 8 -11.765 -1.873 3.054 1.00 31.55 O ATOM 93 OD2 ASP A 8 -11.051 -0.093 1.982 1.00 64.45 O ATOM 0 H ASP A 8 -9.840 -3.909 -0.421 1.00 4.52 H new ATOM 0 HA ASP A 8 -11.500 -3.784 2.023 1.00 24.03 H new ATOM 0 HB2 ASP A 8 -10.477 -1.817 0.153 1.00 71.22 H new ATOM 0 HB3 ASP A 8 -12.229 -1.802 0.107 1.00 71.22 H new ATOM 98 N GLU A 9 -13.781 -3.912 0.697 1.00 45.12 N ATOM 99 CA GLU A 9 -14.994 -4.448 0.092 1.00 53.52 C ATOM 100 C GLU A 9 -15.211 -3.864 -1.301 1.00 51.24 C ATOM 101 O GLU A 9 -16.041 -4.351 -2.068 1.00 24.41 O ATOM 102 CB GLU A 9 -16.206 -4.148 0.976 1.00 35.53 C ATOM 103 CG GLU A 9 -16.288 -2.700 1.428 1.00 51.15 C ATOM 104 CD GLU A 9 -17.717 -2.208 1.554 1.00 41.24 C ATOM 105 OE1 GLU A 9 -18.263 -1.710 0.547 1.00 51.41 O ATOM 106 OE2 GLU A 9 -18.289 -2.320 2.658 1.00 65.40 O ATOM 0 H GLU A 9 -13.943 -3.295 1.493 1.00 45.12 H new ATOM 0 HA GLU A 9 -14.877 -5.528 0.001 1.00 53.52 H new ATOM 0 HB2 GLU A 9 -17.115 -4.401 0.430 1.00 35.53 H new ATOM 0 HB3 GLU A 9 -16.172 -4.792 1.854 1.00 35.53 H new ATOM 0 HG2 GLU A 9 -15.785 -2.594 2.389 1.00 51.15 H new ATOM 0 HG3 GLU A 9 -15.752 -2.071 0.717 1.00 51.15 H new ATOM 113 N ASN A 10 -14.459 -2.816 -1.621 1.00 11.51 N ATOM 114 CA ASN A 10 -14.569 -2.164 -2.921 1.00 12.31 C ATOM 115 C ASN A 10 -13.877 -2.987 -4.003 1.00 20.23 C ATOM 116 O ASN A 10 -14.330 -3.033 -5.147 1.00 45.23 O ATOM 117 CB ASN A 10 -13.961 -0.761 -2.864 1.00 41.15 C ATOM 118 CG ASN A 10 -12.779 -0.681 -1.917 1.00 53.22 C ATOM 119 OD1 ASN A 10 -12.819 0.036 -0.917 1.00 42.12 O ATOM 120 ND2 ASN A 10 -11.720 -1.419 -2.229 1.00 51.51 N ATOM 0 H ASN A 10 -13.767 -2.400 -0.998 1.00 11.51 H new ATOM 0 HA ASN A 10 -15.627 -2.084 -3.171 1.00 12.31 H new ATOM 0 HB2 ASN A 10 -13.643 -0.465 -3.864 1.00 41.15 H new ATOM 0 HB3 ASN A 10 -14.724 -0.050 -2.549 1.00 41.15 H new ATOM 0 HD21 ASN A 10 -10.895 -1.406 -1.629 1.00 51.51 H new ATOM 0 HD22 ASN A 10 -11.732 -1.999 -3.068 1.00 51.51 H new ATOM 127 N CYS A 11 -12.779 -3.636 -3.632 1.00 62.23 N ATOM 128 CA CYS A 11 -12.023 -4.458 -4.571 1.00 34.41 C ATOM 129 C CYS A 11 -12.824 -5.690 -4.981 1.00 23.43 C ATOM 130 O CYS A 11 -12.667 -6.206 -6.088 1.00 4.14 O ATOM 131 CB CYS A 11 -10.691 -4.884 -3.951 1.00 54.52 C ATOM 132 SG CYS A 11 -10.800 -6.353 -2.904 1.00 32.25 S ATOM 0 H CYS A 11 -12.392 -3.609 -2.688 1.00 62.23 H new ATOM 0 HA CYS A 11 -11.826 -3.861 -5.462 1.00 34.41 H new ATOM 0 HB2 CYS A 11 -9.975 -5.073 -4.750 1.00 54.52 H new ATOM 0 HB3 CYS A 11 -10.297 -4.058 -3.359 1.00 54.52 H new ATOM 0 HG CYS A 11 -11.486 -6.074 -1.835 1.00 32.25 H new ATOM 138 N VAL A 12 -13.681 -6.159 -4.080 1.00 35.11 N ATOM 139 CA VAL A 12 -14.506 -7.331 -4.347 1.00 74.31 C ATOM 140 C VAL A 12 -15.838 -6.935 -4.974 1.00 51.34 C ATOM 141 O VAL A 12 -16.236 -7.476 -6.005 1.00 70.42 O ATOM 142 CB VAL A 12 -14.776 -8.133 -3.060 1.00 12.01 C ATOM 143 CG1 VAL A 12 -15.626 -9.358 -3.362 1.00 2.01 C ATOM 144 CG2 VAL A 12 -13.467 -8.532 -2.397 1.00 65.42 C ATOM 0 H VAL A 12 -13.822 -5.745 -3.158 1.00 35.11 H new ATOM 0 HA VAL A 12 -13.950 -7.956 -5.046 1.00 74.31 H new ATOM 0 HB VAL A 12 -15.329 -7.499 -2.367 1.00 12.01 H new ATOM 0 HG11 VAL A 12 -15.806 -9.912 -2.441 1.00 2.01 H new ATOM 0 HG12 VAL A 12 -16.579 -9.044 -3.789 1.00 2.01 H new ATOM 0 HG13 VAL A 12 -15.103 -9.997 -4.073 1.00 2.01 H new ATOM 0 HG21 VAL A 12 -13.677 -9.098 -1.489 1.00 65.42 H new ATOM 0 HG22 VAL A 12 -12.885 -9.148 -3.082 1.00 65.42 H new ATOM 0 HG23 VAL A 12 -12.900 -7.636 -2.143 1.00 65.42 H new ATOM 154 N ALA A 13 -16.523 -5.985 -4.345 1.00 63.12 N ATOM 155 CA ALA A 13 -17.809 -5.514 -4.843 1.00 10.40 C ATOM 156 C ALA A 13 -17.733 -5.176 -6.328 1.00 44.30 C ATOM 157 O ALA A 13 -18.741 -5.205 -7.034 1.00 21.33 O ATOM 158 CB ALA A 13 -18.271 -4.302 -4.047 1.00 41.11 C ATOM 0 H ALA A 13 -16.208 -5.527 -3.490 1.00 63.12 H new ATOM 0 HA ALA A 13 -18.535 -6.317 -4.717 1.00 10.40 H new ATOM 0 HB1 ALA A 13 -19.233 -3.961 -4.430 1.00 41.11 H new ATOM 0 HB2 ALA A 13 -18.374 -4.574 -2.997 1.00 41.11 H new ATOM 0 HB3 ALA A 13 -17.537 -3.502 -4.144 1.00 41.11 H new ATOM 164 N ARG A 14 -16.531 -4.854 -6.796 1.00 21.21 N ATOM 165 CA ARG A 14 -16.324 -4.509 -8.197 1.00 41.41 C ATOM 166 C ARG A 14 -16.194 -5.765 -9.053 1.00 51.13 C ATOM 167 O ARG A 14 -16.964 -5.972 -9.991 1.00 74.12 O ATOM 168 CB ARG A 14 -15.073 -3.642 -8.351 1.00 41.12 C ATOM 169 CG ARG A 14 -15.347 -2.151 -8.235 1.00 64.32 C ATOM 170 CD ARG A 14 -16.322 -1.850 -7.108 1.00 71.12 C ATOM 171 NE ARG A 14 -17.708 -1.858 -7.567 1.00 74.44 N ATOM 172 CZ ARG A 14 -18.739 -1.522 -6.800 1.00 21.23 C ATOM 173 NH1 ARG A 14 -18.540 -1.153 -5.542 1.00 51.50 N ATOM 174 NH2 ARG A 14 -19.972 -1.555 -7.290 1.00 4.21 N ATOM 0 H ARG A 14 -15.686 -4.825 -6.225 1.00 21.21 H new ATOM 0 HA ARG A 14 -17.193 -3.946 -8.539 1.00 41.41 H new ATOM 0 HB2 ARG A 14 -14.346 -3.929 -7.591 1.00 41.12 H new ATOM 0 HB3 ARG A 14 -14.618 -3.845 -9.320 1.00 41.12 H new ATOM 0 HG2 ARG A 14 -14.411 -1.621 -8.059 1.00 64.32 H new ATOM 0 HG3 ARG A 14 -15.752 -1.780 -9.177 1.00 64.32 H new ATOM 0 HD2 ARG A 14 -16.198 -2.588 -6.315 1.00 71.12 H new ATOM 0 HD3 ARG A 14 -16.088 -0.876 -6.677 1.00 71.12 H new ATOM 0 HE ARG A 14 -17.895 -2.137 -8.530 1.00 74.44 H new ATOM 0 HH11 ARG A 14 -17.594 -1.127 -5.162 1.00 51.50 H new ATOM 0 HH12 ARG A 14 -19.333 -0.895 -4.955 1.00 51.50 H new ATOM 0 HH21 ARG A 14 -20.129 -1.839 -8.257 1.00 4.21 H new ATOM 0 HH22 ARG A 14 -20.763 -1.297 -6.699 1.00 4.21 H new ATOM 188 N PHE A 15 -15.214 -6.600 -8.724 1.00 72.25 N ATOM 189 CA PHE A 15 -14.982 -7.835 -9.464 1.00 31.40 C ATOM 190 C PHE A 15 -16.235 -8.706 -9.476 1.00 14.20 C ATOM 191 O PHE A 15 -16.475 -9.455 -10.422 1.00 43.42 O ATOM 192 CB PHE A 15 -13.815 -8.611 -8.850 1.00 2.13 C ATOM 193 CG PHE A 15 -14.195 -9.980 -8.363 1.00 22.02 C ATOM 194 CD1 PHE A 15 -14.291 -11.042 -9.247 1.00 73.31 C ATOM 195 CD2 PHE A 15 -14.456 -10.205 -7.021 1.00 12.53 C ATOM 196 CE1 PHE A 15 -14.640 -12.304 -8.802 1.00 54.52 C ATOM 197 CE2 PHE A 15 -14.805 -11.464 -6.570 1.00 52.40 C ATOM 198 CZ PHE A 15 -14.899 -12.514 -7.462 1.00 23.10 C ATOM 0 H PHE A 15 -14.568 -6.444 -7.950 1.00 72.25 H new ATOM 0 HA PHE A 15 -14.734 -7.571 -10.492 1.00 31.40 H new ATOM 0 HB2 PHE A 15 -13.022 -8.705 -9.592 1.00 2.13 H new ATOM 0 HB3 PHE A 15 -13.407 -8.038 -8.017 1.00 2.13 H new ATOM 0 HD1 PHE A 15 -14.091 -10.883 -10.296 1.00 73.31 H new ATOM 0 HD2 PHE A 15 -14.386 -9.387 -6.319 1.00 12.53 H new ATOM 0 HE1 PHE A 15 -14.710 -13.124 -9.501 1.00 54.52 H new ATOM 0 HE2 PHE A 15 -15.004 -11.626 -5.521 1.00 52.40 H new ATOM 0 HZ PHE A 15 -15.175 -13.498 -7.112 1.00 23.10 H new ATOM 208 N ASN A 16 -17.031 -8.601 -8.417 1.00 34.12 N ATOM 209 CA ASN A 16 -18.260 -9.379 -8.304 1.00 61.01 C ATOM 210 C ASN A 16 -19.287 -8.926 -9.337 1.00 33.11 C ATOM 211 O ASN A 16 -20.235 -9.650 -9.642 1.00 44.43 O ATOM 212 CB ASN A 16 -18.844 -9.248 -6.896 1.00 3.11 C ATOM 213 CG ASN A 16 -19.560 -10.507 -6.448 1.00 34.03 C ATOM 214 OD1 ASN A 16 -19.147 -11.163 -5.491 1.00 52.32 O ATOM 215 ND2 ASN A 16 -20.641 -10.851 -7.139 1.00 42.32 N ATOM 0 H ASN A 16 -16.847 -7.985 -7.625 1.00 34.12 H new ATOM 0 HA ASN A 16 -18.017 -10.425 -8.493 1.00 61.01 H new ATOM 0 HB2 ASN A 16 -18.043 -9.019 -6.193 1.00 3.11 H new ATOM 0 HB3 ASN A 16 -19.540 -8.409 -6.871 1.00 3.11 H new ATOM 0 HD21 ASN A 16 -21.165 -11.688 -6.883 1.00 42.32 H new ATOM 0 HD22 ASN A 16 -20.948 -10.278 -7.925 1.00 42.32 H new ATOM 222 N GLU A 17 -19.092 -7.725 -9.871 1.00 44.40 N ATOM 223 CA GLU A 17 -20.002 -7.176 -10.869 1.00 44.34 C ATOM 224 C GLU A 17 -19.816 -7.871 -12.215 1.00 51.42 C ATOM 225 O GLU A 17 -20.775 -8.067 -12.963 1.00 50.10 O ATOM 226 CB GLU A 17 -19.776 -5.670 -11.025 1.00 23.41 C ATOM 227 CG GLU A 17 -19.721 -4.923 -9.703 1.00 34.20 C ATOM 228 CD GLU A 17 -20.682 -3.751 -9.655 1.00 74.33 C ATOM 229 OE1 GLU A 17 -20.315 -2.663 -10.145 1.00 45.04 O ATOM 230 OE2 GLU A 17 -21.801 -3.922 -9.128 1.00 54.22 O ATOM 0 H GLU A 17 -18.312 -7.114 -9.629 1.00 44.40 H new ATOM 0 HA GLU A 17 -21.022 -7.349 -10.527 1.00 44.34 H new ATOM 0 HB2 GLU A 17 -18.844 -5.505 -11.565 1.00 23.41 H new ATOM 0 HB3 GLU A 17 -20.576 -5.252 -11.636 1.00 23.41 H new ATOM 0 HG2 GLU A 17 -19.953 -5.612 -8.891 1.00 34.20 H new ATOM 0 HG3 GLU A 17 -18.706 -4.563 -9.535 1.00 34.20 H new ATOM 237 N LEU A 18 -18.576 -8.240 -12.517 1.00 74.24 N ATOM 238 CA LEU A 18 -18.263 -8.913 -13.773 1.00 73.13 C ATOM 239 C LEU A 18 -18.690 -10.377 -13.728 1.00 53.21 C ATOM 240 O LEU A 18 -18.910 -11.003 -14.765 1.00 73.10 O ATOM 241 CB LEU A 18 -16.765 -8.816 -14.067 1.00 52.01 C ATOM 242 CG LEU A 18 -15.871 -9.818 -13.336 1.00 34.13 C ATOM 243 CD1 LEU A 18 -15.389 -10.899 -14.291 1.00 4.24 C ATOM 244 CD2 LEU A 18 -14.691 -9.108 -12.690 1.00 44.33 C ATOM 0 H LEU A 18 -17.771 -8.085 -11.910 1.00 74.24 H new ATOM 0 HA LEU A 18 -18.817 -8.417 -14.570 1.00 73.13 H new ATOM 0 HB2 LEU A 18 -16.617 -8.942 -15.139 1.00 52.01 H new ATOM 0 HB3 LEU A 18 -16.430 -7.810 -13.815 1.00 52.01 H new ATOM 0 HG LEU A 18 -16.457 -10.293 -12.549 1.00 34.13 H new ATOM 0 HD11 LEU A 18 -14.754 -11.603 -13.753 1.00 4.24 H new ATOM 0 HD12 LEU A 18 -16.247 -11.428 -14.705 1.00 4.24 H new ATOM 0 HD13 LEU A 18 -14.819 -10.442 -15.100 1.00 4.24 H new ATOM 0 HD21 LEU A 18 -14.066 -9.837 -12.174 1.00 44.33 H new ATOM 0 HD22 LEU A 18 -14.104 -8.605 -13.458 1.00 44.33 H new ATOM 0 HD23 LEU A 18 -15.057 -8.372 -11.974 1.00 44.33 H new ATOM 256 N LYS A 19 -18.808 -10.916 -12.520 1.00 21.34 N ATOM 257 CA LYS A 19 -19.212 -12.305 -12.337 1.00 73.23 C ATOM 258 C LYS A 19 -20.720 -12.459 -12.506 1.00 34.52 C ATOM 259 O LYS A 19 -21.198 -13.485 -12.992 1.00 31.01 O ATOM 260 CB LYS A 19 -18.789 -12.804 -10.953 1.00 54.45 C ATOM 261 CG LYS A 19 -19.088 -14.274 -10.719 1.00 74.21 C ATOM 262 CD LYS A 19 -18.703 -14.704 -9.314 1.00 31.53 C ATOM 263 CE LYS A 19 -19.501 -15.919 -8.864 1.00 12.41 C ATOM 264 NZ LYS A 19 -20.312 -15.630 -7.648 1.00 62.34 N ATOM 0 H LYS A 19 -18.629 -10.411 -11.652 1.00 21.34 H new ATOM 0 HA LYS A 19 -18.715 -12.905 -13.099 1.00 73.23 H new ATOM 0 HB2 LYS A 19 -17.720 -12.635 -10.826 1.00 54.45 H new ATOM 0 HB3 LYS A 19 -19.298 -12.213 -10.192 1.00 54.45 H new ATOM 0 HG2 LYS A 19 -20.150 -14.460 -10.879 1.00 74.21 H new ATOM 0 HG3 LYS A 19 -18.545 -14.877 -11.447 1.00 74.21 H new ATOM 0 HD2 LYS A 19 -17.638 -14.935 -9.282 1.00 31.53 H new ATOM 0 HD3 LYS A 19 -18.872 -13.880 -8.621 1.00 31.53 H new ATOM 0 HE2 LYS A 19 -20.159 -16.241 -9.671 1.00 12.41 H new ATOM 0 HE3 LYS A 19 -18.820 -16.745 -8.659 1.00 12.41 H new ATOM 0 HZ1 LYS A 19 -20.841 -16.482 -7.373 1.00 62.34 H new ATOM 0 HZ2 LYS A 19 -19.682 -15.347 -6.870 1.00 62.34 H new ATOM 0 HZ3 LYS A 19 -20.979 -14.859 -7.851 1.00 62.34 H new ATOM 278 N ILE A 20 -21.464 -11.435 -12.103 1.00 10.23 N ATOM 279 CA ILE A 20 -22.917 -11.457 -12.212 1.00 54.40 C ATOM 280 C ILE A 20 -23.367 -11.134 -13.633 1.00 64.01 C ATOM 281 O ILE A 20 -24.380 -11.649 -14.106 1.00 41.45 O ATOM 282 CB ILE A 20 -23.570 -10.456 -11.240 1.00 31.43 C ATOM 283 CG1 ILE A 20 -25.092 -10.485 -11.390 1.00 55.45 C ATOM 284 CG2 ILE A 20 -23.034 -9.054 -11.484 1.00 12.40 C ATOM 285 CD1 ILE A 20 -25.703 -11.838 -11.100 1.00 54.33 C ATOM 0 H ILE A 20 -21.084 -10.579 -11.698 1.00 10.23 H new ATOM 0 HA ILE A 20 -23.237 -12.466 -11.952 1.00 54.40 H new ATOM 0 HB ILE A 20 -23.319 -10.746 -10.220 1.00 31.43 H new ATOM 0 HG12 ILE A 20 -25.529 -9.747 -10.718 1.00 55.45 H new ATOM 0 HG13 ILE A 20 -25.355 -10.187 -12.405 1.00 55.45 H new ATOM 0 HG21 ILE A 20 -23.505 -8.358 -10.789 1.00 12.40 H new ATOM 0 HG22 ILE A 20 -21.955 -9.045 -11.330 1.00 12.40 H new ATOM 0 HG23 ILE A 20 -23.257 -8.752 -12.507 1.00 12.40 H new ATOM 0 HD11 ILE A 20 -26.784 -11.784 -11.226 1.00 54.33 H new ATOM 0 HD12 ILE A 20 -25.294 -12.577 -11.789 1.00 54.33 H new ATOM 0 HD13 ILE A 20 -25.472 -12.130 -10.076 1.00 54.33 H new ATOM 297 N ARG A 21 -22.605 -10.280 -14.309 1.00 61.22 N ATOM 298 CA ARG A 21 -22.924 -9.889 -15.677 1.00 31.30 C ATOM 299 C ARG A 21 -22.302 -10.858 -16.678 1.00 51.05 C ATOM 300 O ARG A 21 -22.915 -11.202 -17.689 1.00 40.24 O ATOM 301 CB ARG A 21 -22.431 -8.468 -15.952 1.00 45.31 C ATOM 302 CG ARG A 21 -23.237 -7.738 -17.014 1.00 2.22 C ATOM 303 CD ARG A 21 -24.423 -7.005 -16.407 1.00 1.13 C ATOM 304 NE ARG A 21 -25.382 -6.579 -17.423 1.00 22.42 N ATOM 305 CZ ARG A 21 -26.247 -7.401 -18.007 1.00 65.31 C ATOM 306 NH1 ARG A 21 -26.272 -8.685 -17.677 1.00 75.24 N ATOM 307 NH2 ARG A 21 -27.088 -6.939 -18.923 1.00 60.00 N ATOM 0 H ARG A 21 -21.763 -9.846 -13.932 1.00 61.22 H new ATOM 0 HA ARG A 21 -24.007 -9.919 -15.794 1.00 31.30 H new ATOM 0 HB2 ARG A 21 -22.464 -7.895 -15.025 1.00 45.31 H new ATOM 0 HB3 ARG A 21 -21.387 -8.509 -16.264 1.00 45.31 H new ATOM 0 HG2 ARG A 21 -22.596 -7.027 -17.534 1.00 2.22 H new ATOM 0 HG3 ARG A 21 -23.591 -8.451 -17.758 1.00 2.22 H new ATOM 0 HD2 ARG A 21 -24.922 -7.655 -15.688 1.00 1.13 H new ATOM 0 HD3 ARG A 21 -24.068 -6.134 -15.856 1.00 1.13 H new ATOM 0 HE ARG A 21 -25.388 -5.597 -17.699 1.00 22.42 H new ATOM 0 HH11 ARG A 21 -25.626 -9.043 -16.973 1.00 75.24 H new ATOM 0 HH12 ARG A 21 -26.937 -9.314 -18.127 1.00 75.24 H new ATOM 0 HH21 ARG A 21 -27.071 -5.952 -19.179 1.00 60.00 H new ATOM 0 HH22 ARG A 21 -27.752 -7.571 -19.371 1.00 60.00 H new ATOM 321 N LYS A 22 -21.081 -11.295 -16.391 1.00 5.50 N ATOM 322 CA LYS A 22 -20.374 -12.224 -17.265 1.00 33.03 C ATOM 323 C LYS A 22 -20.215 -11.640 -18.665 1.00 22.22 C ATOM 324 O LYS A 22 -19.892 -12.355 -19.614 1.00 65.02 O ATOM 325 CB LYS A 22 -21.124 -13.556 -17.338 1.00 63.34 C ATOM 326 CG LYS A 22 -21.187 -14.293 -16.012 1.00 2.15 C ATOM 327 CD LYS A 22 -22.620 -14.606 -15.615 1.00 62.54 C ATOM 328 CE LYS A 22 -22.711 -15.914 -14.843 1.00 53.40 C ATOM 329 NZ LYS A 22 -23.862 -16.745 -15.294 1.00 2.35 N ATOM 0 H LYS A 22 -20.559 -11.020 -15.559 1.00 5.50 H new ATOM 0 HA LYS A 22 -19.382 -12.394 -16.848 1.00 33.03 H new ATOM 0 HB2 LYS A 22 -22.139 -13.373 -17.691 1.00 63.34 H new ATOM 0 HB3 LYS A 22 -20.641 -14.195 -18.077 1.00 63.34 H new ATOM 0 HG2 LYS A 22 -20.617 -15.220 -16.082 1.00 2.15 H new ATOM 0 HG3 LYS A 22 -20.717 -13.688 -15.236 1.00 2.15 H new ATOM 0 HD2 LYS A 22 -23.015 -13.794 -15.005 1.00 62.54 H new ATOM 0 HD3 LYS A 22 -23.242 -14.665 -16.508 1.00 62.54 H new ATOM 0 HE2 LYS A 22 -21.786 -16.476 -14.970 1.00 53.40 H new ATOM 0 HE3 LYS A 22 -22.811 -15.701 -13.779 1.00 53.40 H new ATOM 0 HZ1 LYS A 22 -23.890 -17.627 -14.744 1.00 2.35 H new ATOM 0 HZ2 LYS A 22 -24.748 -16.219 -15.150 1.00 2.35 H new ATOM 0 HZ3 LYS A 22 -23.754 -16.970 -16.304 1.00 2.35 H new ATOM 343 N THR A 23 -20.442 -10.336 -18.787 1.00 33.01 N ATOM 344 CA THR A 23 -20.324 -9.656 -20.071 1.00 24.43 C ATOM 345 C THR A 23 -19.102 -8.744 -20.099 1.00 74.51 C ATOM 346 O THR A 23 -18.200 -8.923 -20.918 1.00 35.23 O ATOM 347 CB THR A 23 -21.580 -8.822 -20.383 1.00 74.41 C ATOM 348 OG1 THR A 23 -22.758 -9.580 -20.085 1.00 30.34 O ATOM 349 CG2 THR A 23 -21.600 -8.400 -21.844 1.00 41.14 C ATOM 0 H THR A 23 -20.709 -9.729 -18.012 1.00 33.01 H new ATOM 0 HA THR A 23 -20.214 -10.430 -20.830 1.00 24.43 H new ATOM 0 HB THR A 23 -21.558 -7.926 -19.762 1.00 74.41 H new ATOM 0 HG1 THR A 23 -22.697 -9.935 -19.174 1.00 30.34 H new ATOM 0 HG21 THR A 23 -22.497 -7.812 -22.041 1.00 41.14 H new ATOM 0 HG22 THR A 23 -20.717 -7.799 -22.061 1.00 41.14 H new ATOM 0 HG23 THR A 23 -21.601 -9.286 -22.479 1.00 41.14 H new ATOM 357 N VAL A 24 -19.079 -7.766 -19.199 1.00 60.25 N ATOM 358 CA VAL A 24 -17.967 -6.827 -19.120 1.00 42.34 C ATOM 359 C VAL A 24 -18.367 -5.563 -18.368 1.00 14.20 C ATOM 360 O VAL A 24 -18.524 -4.496 -18.962 1.00 41.03 O ATOM 361 CB VAL A 24 -17.460 -6.438 -20.522 1.00 1.31 C ATOM 362 CG1 VAL A 24 -18.616 -5.991 -21.403 1.00 54.30 C ATOM 363 CG2 VAL A 24 -16.403 -5.349 -20.422 1.00 43.53 C ATOM 0 H VAL A 24 -19.818 -7.604 -18.515 1.00 60.25 H new ATOM 0 HA VAL A 24 -17.166 -7.330 -18.578 1.00 42.34 H new ATOM 0 HB VAL A 24 -17.003 -7.315 -20.981 1.00 1.31 H new ATOM 0 HG11 VAL A 24 -18.238 -5.720 -22.389 1.00 54.30 H new ATOM 0 HG12 VAL A 24 -19.335 -6.805 -21.500 1.00 54.30 H new ATOM 0 HG13 VAL A 24 -19.104 -5.127 -20.952 1.00 54.30 H new ATOM 0 HG21 VAL A 24 -16.056 -5.086 -21.421 1.00 43.53 H new ATOM 0 HG22 VAL A 24 -16.832 -4.468 -19.944 1.00 43.53 H new ATOM 0 HG23 VAL A 24 -15.563 -5.711 -19.829 1.00 43.53 H new ATOM 373 N LYS A 25 -18.532 -5.689 -17.056 1.00 20.34 N ATOM 374 CA LYS A 25 -18.913 -4.557 -16.219 1.00 62.41 C ATOM 375 C LYS A 25 -17.827 -3.486 -16.225 1.00 63.53 C ATOM 376 O LYS A 25 -18.080 -2.331 -15.885 1.00 41.34 O ATOM 377 CB LYS A 25 -19.177 -5.023 -14.785 1.00 51.53 C ATOM 378 CG LYS A 25 -19.760 -3.941 -13.893 1.00 0.34 C ATOM 379 CD LYS A 25 -21.268 -3.839 -14.051 1.00 63.23 C ATOM 380 CE LYS A 25 -21.955 -5.150 -13.701 1.00 24.14 C ATOM 381 NZ LYS A 25 -22.957 -4.978 -12.613 1.00 3.55 N ATOM 0 H LYS A 25 -18.408 -6.565 -16.548 1.00 20.34 H new ATOM 0 HA LYS A 25 -19.826 -4.125 -16.628 1.00 62.41 H new ATOM 0 HB2 LYS A 25 -19.861 -5.872 -14.807 1.00 51.53 H new ATOM 0 HB3 LYS A 25 -18.243 -5.378 -14.349 1.00 51.53 H new ATOM 0 HG2 LYS A 25 -19.516 -4.156 -12.853 1.00 0.34 H new ATOM 0 HG3 LYS A 25 -19.302 -2.982 -14.136 1.00 0.34 H new ATOM 0 HD2 LYS A 25 -21.649 -3.045 -13.409 1.00 63.23 H new ATOM 0 HD3 LYS A 25 -21.510 -3.563 -15.077 1.00 63.23 H new ATOM 0 HE2 LYS A 25 -22.447 -5.550 -14.588 1.00 24.14 H new ATOM 0 HE3 LYS A 25 -21.207 -5.881 -13.394 1.00 24.14 H new ATOM 0 HZ1 LYS A 25 -23.241 -5.911 -12.252 1.00 3.55 H new ATOM 0 HZ2 LYS A 25 -22.539 -4.421 -11.841 1.00 3.55 H new ATOM 0 HZ3 LYS A 25 -23.792 -4.482 -12.985 1.00 3.55 H new ATOM 395 N TRP A 26 -16.619 -3.878 -16.615 1.00 1.13 N ATOM 396 CA TRP A 26 -15.495 -2.950 -16.666 1.00 63.13 C ATOM 397 C TRP A 26 -15.344 -2.204 -15.345 1.00 44.24 C ATOM 398 O TRP A 26 -15.931 -1.139 -15.154 1.00 4.55 O ATOM 399 CB TRP A 26 -15.682 -1.953 -17.811 1.00 61.11 C ATOM 400 CG TRP A 26 -14.811 -0.739 -17.690 1.00 33.22 C ATOM 401 CD1 TRP A 26 -13.446 -0.709 -17.668 1.00 11.43 C ATOM 402 CD2 TRP A 26 -15.247 0.620 -17.572 1.00 60.42 C ATOM 403 NE1 TRP A 26 -13.007 0.587 -17.543 1.00 41.53 N ATOM 404 CE2 TRP A 26 -14.092 1.421 -17.484 1.00 11.23 C ATOM 405 CE3 TRP A 26 -16.500 1.237 -17.535 1.00 41.33 C ATOM 406 CZ2 TRP A 26 -14.156 2.806 -17.359 1.00 44.53 C ATOM 407 CZ3 TRP A 26 -16.561 2.612 -17.411 1.00 53.25 C ATOM 408 CH2 TRP A 26 -15.395 3.385 -17.326 1.00 34.35 C ATOM 0 H TRP A 26 -16.393 -4.831 -16.900 1.00 1.13 H new ATOM 0 HA TRP A 26 -14.587 -3.527 -16.841 1.00 63.13 H new ATOM 0 HB2 TRP A 26 -15.468 -2.452 -18.756 1.00 61.11 H new ATOM 0 HB3 TRP A 26 -16.726 -1.641 -17.844 1.00 61.11 H new ATOM 0 HD1 TRP A 26 -12.806 -1.576 -17.738 1.00 11.43 H new ATOM 0 HE1 TRP A 26 -12.031 0.881 -17.501 1.00 41.53 H new ATOM 0 HE3 TRP A 26 -17.404 0.650 -17.602 1.00 41.33 H new ATOM 0 HZ2 TRP A 26 -13.258 3.403 -17.290 1.00 44.53 H new ATOM 0 HZ3 TRP A 26 -17.524 3.100 -17.379 1.00 53.25 H new ATOM 0 HH2 TRP A 26 -15.476 4.458 -17.233 1.00 34.35 H new ATOM 419 N ILE A 27 -14.554 -2.769 -14.438 1.00 40.04 N ATOM 420 CA ILE A 27 -14.326 -2.155 -13.136 1.00 62.12 C ATOM 421 C ILE A 27 -12.851 -1.821 -12.937 1.00 14.21 C ATOM 422 O ILE A 27 -11.988 -2.694 -13.027 1.00 10.15 O ATOM 423 CB ILE A 27 -14.792 -3.074 -11.991 1.00 44.23 C ATOM 424 CG1 ILE A 27 -14.609 -4.542 -12.380 1.00 25.40 C ATOM 425 CG2 ILE A 27 -16.245 -2.790 -11.642 1.00 40.13 C ATOM 426 CD1 ILE A 27 -15.844 -5.164 -12.992 1.00 34.12 C ATOM 0 H ILE A 27 -14.061 -3.651 -14.581 1.00 40.04 H new ATOM 0 HA ILE A 27 -14.911 -1.235 -13.113 1.00 62.12 H new ATOM 0 HB ILE A 27 -14.181 -2.872 -11.111 1.00 44.23 H new ATOM 0 HG12 ILE A 27 -13.784 -4.622 -13.087 1.00 25.40 H new ATOM 0 HG13 ILE A 27 -14.326 -5.111 -11.495 1.00 25.40 H new ATOM 0 HG21 ILE A 27 -16.560 -3.447 -10.831 1.00 40.13 H new ATOM 0 HG22 ILE A 27 -16.347 -1.751 -11.328 1.00 40.13 H new ATOM 0 HG23 ILE A 27 -16.871 -2.968 -12.517 1.00 40.13 H new ATOM 0 HD11 ILE A 27 -15.641 -6.205 -13.243 1.00 34.12 H new ATOM 0 HD12 ILE A 27 -16.667 -5.117 -12.279 1.00 34.12 H new ATOM 0 HD13 ILE A 27 -16.116 -4.619 -13.896 1.00 34.12 H new ATOM 438 N VAL A 28 -12.570 -0.551 -12.664 1.00 42.31 N ATOM 439 CA VAL A 28 -11.200 -0.101 -12.449 1.00 2.44 C ATOM 440 C VAL A 28 -10.908 0.081 -10.963 1.00 52.13 C ATOM 441 O VAL A 28 -11.512 0.924 -10.300 1.00 1.33 O ATOM 442 CB VAL A 28 -10.923 1.226 -13.181 1.00 31.11 C ATOM 443 CG1 VAL A 28 -9.480 1.660 -12.973 1.00 12.02 C ATOM 444 CG2 VAL A 28 -11.240 1.092 -14.663 1.00 2.13 C ATOM 0 H VAL A 28 -13.273 0.184 -12.586 1.00 42.31 H new ATOM 0 HA VAL A 28 -10.546 -0.874 -12.853 1.00 2.44 H new ATOM 0 HB VAL A 28 -11.572 1.995 -12.762 1.00 31.11 H new ATOM 0 HG11 VAL A 28 -9.303 2.599 -13.497 1.00 12.02 H new ATOM 0 HG12 VAL A 28 -9.291 1.798 -11.908 1.00 12.02 H new ATOM 0 HG13 VAL A 28 -8.810 0.894 -13.364 1.00 12.02 H new ATOM 0 HG21 VAL A 28 -11.039 2.038 -15.165 1.00 2.13 H new ATOM 0 HG22 VAL A 28 -10.618 0.310 -15.099 1.00 2.13 H new ATOM 0 HG23 VAL A 28 -12.291 0.831 -14.788 1.00 2.13 H new ATOM 454 N PHE A 29 -9.978 -0.715 -10.447 1.00 33.42 N ATOM 455 CA PHE A 29 -9.606 -0.643 -9.039 1.00 31.23 C ATOM 456 C PHE A 29 -8.424 0.301 -8.836 1.00 72.42 C ATOM 457 O PHE A 29 -7.685 0.599 -9.775 1.00 13.44 O ATOM 458 CB PHE A 29 -9.258 -2.036 -8.509 1.00 44.24 C ATOM 459 CG PHE A 29 -10.178 -3.114 -9.006 1.00 51.43 C ATOM 460 CD1 PHE A 29 -10.012 -3.656 -10.270 1.00 70.44 C ATOM 461 CD2 PHE A 29 -11.209 -3.584 -8.209 1.00 71.54 C ATOM 462 CE1 PHE A 29 -10.858 -4.648 -10.730 1.00 52.42 C ATOM 463 CE2 PHE A 29 -12.058 -4.576 -8.664 1.00 12.03 C ATOM 464 CZ PHE A 29 -11.882 -5.109 -9.926 1.00 2.14 C ATOM 0 H PHE A 29 -9.468 -1.417 -10.983 1.00 33.42 H new ATOM 0 HA PHE A 29 -10.459 -0.253 -8.483 1.00 31.23 H new ATOM 0 HB2 PHE A 29 -8.236 -2.281 -8.797 1.00 44.24 H new ATOM 0 HB3 PHE A 29 -9.287 -2.019 -7.420 1.00 44.24 H new ATOM 0 HD1 PHE A 29 -9.213 -3.300 -10.903 1.00 70.44 H new ATOM 0 HD2 PHE A 29 -11.351 -3.171 -7.221 1.00 71.54 H new ATOM 0 HE1 PHE A 29 -10.718 -5.062 -11.718 1.00 52.42 H new ATOM 0 HE2 PHE A 29 -12.858 -4.934 -8.033 1.00 12.03 H new ATOM 0 HZ PHE A 29 -12.544 -5.884 -10.283 1.00 2.14 H new ATOM 474 N LYS A 30 -8.252 0.768 -7.604 1.00 72.43 N ATOM 475 CA LYS A 30 -7.161 1.677 -7.276 1.00 1.13 C ATOM 476 C LYS A 30 -6.651 1.426 -5.860 1.00 65.44 C ATOM 477 O LYS A 30 -7.420 1.455 -4.899 1.00 65.12 O ATOM 478 CB LYS A 30 -7.622 3.130 -7.412 1.00 63.04 C ATOM 479 CG LYS A 30 -8.844 3.462 -6.574 1.00 60.11 C ATOM 480 CD LYS A 30 -8.748 4.855 -5.976 1.00 11.34 C ATOM 481 CE LYS A 30 -7.606 4.955 -4.977 1.00 5.34 C ATOM 482 NZ LYS A 30 -6.500 5.815 -5.483 1.00 23.31 N ATOM 0 H LYS A 30 -8.855 0.532 -6.816 1.00 72.43 H new ATOM 0 HA LYS A 30 -6.346 1.493 -7.976 1.00 1.13 H new ATOM 0 HB2 LYS A 30 -6.804 3.790 -7.124 1.00 63.04 H new ATOM 0 HB3 LYS A 30 -7.843 3.335 -8.459 1.00 63.04 H new ATOM 0 HG2 LYS A 30 -9.740 3.391 -7.191 1.00 60.11 H new ATOM 0 HG3 LYS A 30 -8.948 2.728 -5.775 1.00 60.11 H new ATOM 0 HD2 LYS A 30 -8.601 5.585 -6.772 1.00 11.34 H new ATOM 0 HD3 LYS A 30 -9.687 5.106 -5.483 1.00 11.34 H new ATOM 0 HE2 LYS A 30 -7.980 5.360 -4.037 1.00 5.34 H new ATOM 0 HE3 LYS A 30 -7.222 3.958 -4.763 1.00 5.34 H new ATOM 0 HZ1 LYS A 30 -6.257 6.526 -4.764 1.00 23.31 H new ATOM 0 HZ2 LYS A 30 -5.667 5.226 -5.684 1.00 23.31 H new ATOM 0 HZ3 LYS A 30 -6.804 6.294 -6.355 1.00 23.31 H new ATOM 496 N ILE A 31 -5.350 1.180 -5.740 1.00 52.22 N ATOM 497 CA ILE A 31 -4.738 0.927 -4.442 1.00 30.31 C ATOM 498 C ILE A 31 -4.283 2.226 -3.786 1.00 22.33 C ATOM 499 O ILE A 31 -3.263 2.800 -4.166 1.00 54.22 O ATOM 500 CB ILE A 31 -3.532 -0.024 -4.564 1.00 53.31 C ATOM 501 CG1 ILE A 31 -2.660 0.374 -5.757 1.00 13.23 C ATOM 502 CG2 ILE A 31 -4.004 -1.463 -4.703 1.00 74.20 C ATOM 503 CD1 ILE A 31 -1.323 -0.331 -5.789 1.00 63.34 C ATOM 0 H ILE A 31 -4.700 1.151 -6.526 1.00 52.22 H new ATOM 0 HA ILE A 31 -5.500 0.457 -3.820 1.00 30.31 H new ATOM 0 HB ILE A 31 -2.933 0.055 -3.657 1.00 53.31 H new ATOM 0 HG12 ILE A 31 -3.199 0.156 -6.679 1.00 13.23 H new ATOM 0 HG13 ILE A 31 -2.493 1.451 -5.732 1.00 13.23 H new ATOM 0 HG21 ILE A 31 -3.140 -2.123 -4.788 1.00 74.20 H new ATOM 0 HG22 ILE A 31 -4.588 -1.741 -3.825 1.00 74.20 H new ATOM 0 HG23 ILE A 31 -4.623 -1.558 -5.595 1.00 74.20 H new ATOM 0 HD11 ILE A 31 -0.758 -0.001 -6.661 1.00 63.34 H new ATOM 0 HD12 ILE A 31 -0.765 -0.093 -4.884 1.00 63.34 H new ATOM 0 HD13 ILE A 31 -1.481 -1.408 -5.846 1.00 63.34 H new ATOM 515 N GLU A 32 -5.045 2.682 -2.797 1.00 31.54 N ATOM 516 CA GLU A 32 -4.719 3.913 -2.087 1.00 23.34 C ATOM 517 C GLU A 32 -3.593 3.680 -1.083 1.00 31.21 C ATOM 518 O GLU A 32 -2.921 2.650 -1.116 1.00 71.10 O ATOM 519 CB GLU A 32 -5.955 4.455 -1.366 1.00 41.34 C ATOM 520 CG GLU A 32 -6.167 5.947 -1.562 1.00 54.11 C ATOM 521 CD GLU A 32 -7.328 6.483 -0.746 1.00 61.03 C ATOM 522 OE1 GLU A 32 -8.470 6.456 -1.251 1.00 62.34 O ATOM 523 OE2 GLU A 32 -7.095 6.930 0.396 1.00 25.41 O ATOM 0 H GLU A 32 -5.892 2.218 -2.469 1.00 31.54 H new ATOM 0 HA GLU A 32 -4.384 4.647 -2.820 1.00 23.34 H new ATOM 0 HB2 GLU A 32 -6.836 3.921 -1.722 1.00 41.34 H new ATOM 0 HB3 GLU A 32 -5.865 4.246 -0.300 1.00 41.34 H new ATOM 0 HG2 GLU A 32 -5.257 6.479 -1.285 1.00 54.11 H new ATOM 0 HG3 GLU A 32 -6.346 6.149 -2.618 1.00 54.11 H new ATOM 530 N ASN A 33 -3.394 4.645 -0.192 1.00 2.43 N ATOM 531 CA ASN A 33 -2.349 4.547 0.821 1.00 32.12 C ATOM 532 C ASN A 33 -2.635 3.402 1.788 1.00 61.42 C ATOM 533 O ASN A 33 -3.294 3.587 2.812 1.00 42.44 O ATOM 534 CB ASN A 33 -2.232 5.863 1.593 1.00 51.13 C ATOM 535 CG ASN A 33 -3.556 6.305 2.186 1.00 2.02 C ATOM 536 OD1 ASN A 33 -4.505 6.603 1.461 1.00 32.02 O ATOM 537 ND2 ASN A 33 -3.624 6.350 3.512 1.00 73.44 N ATOM 0 H ASN A 33 -3.942 5.504 -0.150 1.00 2.43 H new ATOM 0 HA ASN A 33 -1.405 4.345 0.315 1.00 32.12 H new ATOM 0 HB2 ASN A 33 -1.499 5.749 2.392 1.00 51.13 H new ATOM 0 HB3 ASN A 33 -1.858 6.640 0.926 1.00 51.13 H new ATOM 0 HD21 ASN A 33 -4.488 6.641 3.969 1.00 73.44 H new ATOM 0 HD22 ASN A 33 -2.812 6.094 4.073 1.00 73.44 H new ATOM 544 N THR A 34 -2.134 2.216 1.456 1.00 31.42 N ATOM 545 CA THR A 34 -2.335 1.040 2.293 1.00 34.25 C ATOM 546 C THR A 34 -3.800 0.616 2.304 1.00 43.32 C ATOM 547 O THR A 34 -4.363 0.317 3.357 1.00 51.31 O ATOM 548 CB THR A 34 -1.877 1.296 3.741 1.00 23.05 C ATOM 549 OG1 THR A 34 -0.866 2.310 3.763 1.00 65.31 O ATOM 550 CG2 THR A 34 -1.337 0.021 4.372 1.00 71.02 C ATOM 0 H THR A 34 -1.586 2.045 0.613 1.00 31.42 H new ATOM 0 HA THR A 34 -1.731 0.241 1.864 1.00 34.25 H new ATOM 0 HB THR A 34 -2.740 1.630 4.317 1.00 23.05 H new ATOM 0 HG1 THR A 34 -0.581 2.468 4.687 1.00 65.31 H new ATOM 0 HG21 THR A 34 -1.020 0.227 5.394 1.00 71.02 H new ATOM 0 HG22 THR A 34 -2.118 -0.740 4.381 1.00 71.02 H new ATOM 0 HG23 THR A 34 -0.486 -0.339 3.794 1.00 71.02 H new ATOM 558 N LYS A 35 -4.412 0.592 1.125 1.00 60.02 N ATOM 559 CA LYS A 35 -5.811 0.203 0.997 1.00 74.12 C ATOM 560 C LYS A 35 -6.230 0.153 -0.469 1.00 72.31 C ATOM 561 O LYS A 35 -5.527 0.661 -1.343 1.00 11.43 O ATOM 562 CB LYS A 35 -6.706 1.182 1.761 1.00 71.44 C ATOM 563 CG LYS A 35 -8.120 0.671 1.978 1.00 60.34 C ATOM 564 CD LYS A 35 -8.123 -0.693 2.647 1.00 74.53 C ATOM 565 CE LYS A 35 -9.007 -0.705 3.885 1.00 41.23 C ATOM 566 NZ LYS A 35 -8.205 -0.662 5.139 1.00 51.32 N ATOM 0 H LYS A 35 -3.961 0.838 0.244 1.00 60.02 H new ATOM 0 HA LYS A 35 -5.925 -0.793 1.424 1.00 74.12 H new ATOM 0 HB2 LYS A 35 -6.253 1.395 2.729 1.00 71.44 H new ATOM 0 HB3 LYS A 35 -6.749 2.124 1.215 1.00 71.44 H new ATOM 0 HG2 LYS A 35 -8.674 1.380 2.593 1.00 60.34 H new ATOM 0 HG3 LYS A 35 -8.636 0.609 1.020 1.00 60.34 H new ATOM 0 HD2 LYS A 35 -8.474 -1.445 1.941 1.00 74.53 H new ATOM 0 HD3 LYS A 35 -7.105 -0.966 2.923 1.00 74.53 H new ATOM 0 HE2 LYS A 35 -9.683 0.149 3.857 1.00 41.23 H new ATOM 0 HE3 LYS A 35 -9.626 -1.602 3.880 1.00 41.23 H new ATOM 0 HZ1 LYS A 35 -8.843 -0.672 5.960 1.00 51.32 H new ATOM 0 HZ2 LYS A 35 -7.578 -1.491 5.178 1.00 51.32 H new ATOM 0 HZ3 LYS A 35 -7.633 0.206 5.156 1.00 51.32 H new ATOM 580 N ILE A 36 -7.379 -0.462 -0.731 1.00 2.22 N ATOM 581 CA ILE A 36 -7.891 -0.575 -2.091 1.00 34.25 C ATOM 582 C ILE A 36 -9.235 0.133 -2.233 1.00 24.35 C ATOM 583 O ILE A 36 -9.969 0.295 -1.258 1.00 51.20 O ATOM 584 CB ILE A 36 -8.053 -2.048 -2.510 1.00 73.21 C ATOM 585 CG1 ILE A 36 -6.685 -2.727 -2.608 1.00 14.34 C ATOM 586 CG2 ILE A 36 -8.793 -2.143 -3.836 1.00 14.00 C ATOM 587 CD1 ILE A 36 -6.693 -4.170 -2.155 1.00 72.12 C ATOM 0 H ILE A 36 -7.972 -0.889 -0.020 1.00 2.22 H new ATOM 0 HA ILE A 36 -7.161 -0.098 -2.744 1.00 34.25 H new ATOM 0 HB ILE A 36 -8.640 -2.564 -1.750 1.00 73.21 H new ATOM 0 HG12 ILE A 36 -6.339 -2.681 -3.640 1.00 14.34 H new ATOM 0 HG13 ILE A 36 -5.968 -2.170 -2.006 1.00 14.34 H new ATOM 0 HG21 ILE A 36 -8.900 -3.190 -4.119 1.00 14.00 H new ATOM 0 HG22 ILE A 36 -9.780 -1.692 -3.735 1.00 14.00 H new ATOM 0 HG23 ILE A 36 -8.230 -1.615 -4.606 1.00 14.00 H new ATOM 0 HD11 ILE A 36 -5.691 -4.587 -2.252 1.00 72.12 H new ATOM 0 HD12 ILE A 36 -7.009 -4.223 -1.113 1.00 72.12 H new ATOM 0 HD13 ILE A 36 -7.385 -4.742 -2.773 1.00 72.12 H new ATOM 599 N VAL A 37 -9.551 0.551 -3.454 1.00 63.01 N ATOM 600 CA VAL A 37 -10.807 1.239 -3.725 1.00 52.12 C ATOM 601 C VAL A 37 -11.198 1.111 -5.193 1.00 74.31 C ATOM 602 O VAL A 37 -10.420 0.624 -6.014 1.00 15.21 O ATOM 603 CB VAL A 37 -10.720 2.732 -3.357 1.00 53.11 C ATOM 604 CG1 VAL A 37 -11.669 3.056 -2.213 1.00 50.32 C ATOM 605 CG2 VAL A 37 -9.291 3.110 -2.998 1.00 60.35 C ATOM 0 H VAL A 37 -8.954 0.425 -4.272 1.00 63.01 H new ATOM 0 HA VAL A 37 -11.568 0.764 -3.106 1.00 52.12 H new ATOM 0 HB VAL A 37 -11.020 3.320 -4.224 1.00 53.11 H new ATOM 0 HG11 VAL A 37 -11.594 4.115 -1.967 1.00 50.32 H new ATOM 0 HG12 VAL A 37 -12.691 2.825 -2.512 1.00 50.32 H new ATOM 0 HG13 VAL A 37 -11.403 2.461 -1.340 1.00 50.32 H new ATOM 0 HG21 VAL A 37 -9.248 4.168 -2.741 1.00 60.35 H new ATOM 0 HG22 VAL A 37 -8.961 2.516 -2.146 1.00 60.35 H new ATOM 0 HG23 VAL A 37 -8.639 2.917 -3.850 1.00 60.35 H new ATOM 615 N VAL A 38 -12.410 1.551 -5.518 1.00 1.12 N ATOM 616 CA VAL A 38 -12.905 1.487 -6.888 1.00 2.33 C ATOM 617 C VAL A 38 -12.919 2.869 -7.532 1.00 14.14 C ATOM 618 O VAL A 38 -13.202 3.869 -6.872 1.00 23.41 O ATOM 619 CB VAL A 38 -14.324 0.891 -6.945 1.00 0.54 C ATOM 620 CG1 VAL A 38 -15.228 1.567 -5.925 1.00 31.12 C ATOM 621 CG2 VAL A 38 -14.899 1.020 -8.347 1.00 33.40 C ATOM 0 H VAL A 38 -13.067 1.956 -4.851 1.00 1.12 H new ATOM 0 HA VAL A 38 -12.225 0.839 -7.441 1.00 2.33 H new ATOM 0 HB VAL A 38 -14.265 -0.169 -6.697 1.00 0.54 H new ATOM 0 HG11 VAL A 38 -16.226 1.133 -5.980 1.00 31.12 H new ATOM 0 HG12 VAL A 38 -14.822 1.419 -4.924 1.00 31.12 H new ATOM 0 HG13 VAL A 38 -15.284 2.634 -6.139 1.00 31.12 H new ATOM 0 HG21 VAL A 38 -15.902 0.594 -8.370 1.00 33.40 H new ATOM 0 HG22 VAL A 38 -14.946 2.073 -8.626 1.00 33.40 H new ATOM 0 HG23 VAL A 38 -14.262 0.486 -9.052 1.00 33.40 H new ATOM 631 N GLU A 39 -12.614 2.917 -8.825 1.00 24.25 N ATOM 632 CA GLU A 39 -12.591 4.177 -9.558 1.00 15.25 C ATOM 633 C GLU A 39 -13.695 4.213 -10.611 1.00 45.14 C ATOM 634 O GLU A 39 -14.491 5.151 -10.662 1.00 22.20 O ATOM 635 CB GLU A 39 -11.229 4.382 -10.223 1.00 2.25 C ATOM 636 CG GLU A 39 -10.162 4.904 -9.275 1.00 43.53 C ATOM 637 CD GLU A 39 -9.741 6.326 -9.597 1.00 34.44 C ATOM 638 OE1 GLU A 39 -9.680 6.670 -10.795 1.00 52.21 O ATOM 639 OE2 GLU A 39 -9.474 7.093 -8.648 1.00 41.13 O ATOM 0 H GLU A 39 -12.380 2.098 -9.386 1.00 24.25 H new ATOM 0 HA GLU A 39 -12.764 4.985 -8.847 1.00 15.25 H new ATOM 0 HB2 GLU A 39 -10.895 3.435 -10.647 1.00 2.25 H new ATOM 0 HB3 GLU A 39 -11.340 5.081 -11.052 1.00 2.25 H new ATOM 0 HG2 GLU A 39 -10.538 4.863 -8.253 1.00 43.53 H new ATOM 0 HG3 GLU A 39 -9.290 4.252 -9.321 1.00 43.53 H new ATOM 646 N LYS A 40 -13.735 3.185 -11.452 1.00 43.24 N ATOM 647 CA LYS A 40 -14.739 3.097 -12.506 1.00 31.44 C ATOM 648 C LYS A 40 -15.578 1.832 -12.352 1.00 53.11 C ATOM 649 O LYS A 40 -15.108 0.824 -11.824 1.00 14.34 O ATOM 650 CB LYS A 40 -14.068 3.112 -13.881 1.00 54.41 C ATOM 651 CG LYS A 40 -13.938 4.503 -14.478 1.00 74.24 C ATOM 652 CD LYS A 40 -13.019 5.383 -13.648 1.00 70.31 C ATOM 653 CE LYS A 40 -11.633 4.771 -13.514 1.00 70.32 C ATOM 654 NZ LYS A 40 -11.092 4.330 -14.830 1.00 21.24 N ATOM 0 H LYS A 40 -13.083 2.401 -11.424 1.00 43.24 H new ATOM 0 HA LYS A 40 -15.397 3.962 -12.421 1.00 31.44 H new ATOM 0 HB2 LYS A 40 -13.076 2.667 -13.797 1.00 54.41 H new ATOM 0 HB3 LYS A 40 -14.642 2.485 -14.563 1.00 54.41 H new ATOM 0 HG2 LYS A 40 -13.552 4.429 -15.495 1.00 74.24 H new ATOM 0 HG3 LYS A 40 -14.923 4.965 -14.544 1.00 74.24 H new ATOM 0 HD2 LYS A 40 -12.940 6.367 -14.110 1.00 70.31 H new ATOM 0 HD3 LYS A 40 -13.450 5.530 -12.658 1.00 70.31 H new ATOM 0 HE2 LYS A 40 -10.956 5.500 -13.069 1.00 70.32 H new ATOM 0 HE3 LYS A 40 -11.676 3.919 -12.835 1.00 70.32 H new ATOM 0 HZ1 LYS A 40 -10.210 3.799 -14.682 1.00 21.24 H new ATOM 0 HZ2 LYS A 40 -11.788 3.721 -15.305 1.00 21.24 H new ATOM 0 HZ3 LYS A 40 -10.899 5.163 -15.423 1.00 21.24 H new ATOM 668 N ASP A 41 -16.821 1.892 -12.818 1.00 42.03 N ATOM 669 CA ASP A 41 -17.725 0.751 -12.735 1.00 65.40 C ATOM 670 C ASP A 41 -19.085 1.090 -13.335 1.00 54.00 C ATOM 671 O ASP A 41 -19.809 1.939 -12.817 1.00 12.21 O ATOM 672 CB ASP A 41 -17.891 0.309 -11.280 1.00 5.40 C ATOM 673 CG ASP A 41 -18.379 1.433 -10.387 1.00 22.34 C ATOM 674 OD1 ASP A 41 -17.530 2.163 -9.833 1.00 21.42 O ATOM 675 OD2 ASP A 41 -19.610 1.582 -10.242 1.00 1.52 O ATOM 0 H ASP A 41 -17.225 2.719 -13.257 1.00 42.03 H new ATOM 0 HA ASP A 41 -17.290 -0.068 -13.308 1.00 65.40 H new ATOM 0 HB2 ASP A 41 -18.596 -0.521 -11.233 1.00 5.40 H new ATOM 0 HB3 ASP A 41 -16.937 -0.062 -10.905 1.00 5.40 H new ATOM 680 N GLY A 42 -19.427 0.421 -14.432 1.00 64.22 N ATOM 681 CA GLY A 42 -20.699 0.666 -15.085 1.00 41.54 C ATOM 682 C GLY A 42 -20.666 0.332 -16.563 1.00 70.25 C ATOM 683 O GLY A 42 -21.328 0.985 -17.371 1.00 23.42 O ATOM 0 H GLY A 42 -18.845 -0.287 -14.880 1.00 64.22 H new ATOM 0 HA2 GLY A 42 -21.474 0.073 -14.599 1.00 41.54 H new ATOM 0 HA3 GLY A 42 -20.973 1.713 -14.958 1.00 41.54 H new ATOM 687 N LYS A 43 -19.892 -0.688 -16.920 1.00 54.35 N ATOM 688 CA LYS A 43 -19.774 -1.109 -18.311 1.00 53.24 C ATOM 689 C LYS A 43 -19.128 -0.017 -19.157 1.00 44.35 C ATOM 690 O LYS A 43 -19.535 1.143 -19.109 1.00 35.11 O ATOM 691 CB LYS A 43 -21.152 -1.459 -18.878 1.00 61.44 C ATOM 692 CG LYS A 43 -21.140 -2.663 -19.805 1.00 30.14 C ATOM 693 CD LYS A 43 -22.257 -3.637 -19.468 1.00 52.41 C ATOM 694 CE LYS A 43 -21.795 -4.694 -18.477 1.00 73.13 C ATOM 695 NZ LYS A 43 -22.474 -4.553 -17.159 1.00 70.43 N ATOM 0 H LYS A 43 -19.337 -1.238 -16.265 1.00 54.35 H new ATOM 0 HA LYS A 43 -19.138 -1.994 -18.344 1.00 53.24 H new ATOM 0 HB2 LYS A 43 -21.837 -1.653 -18.052 1.00 61.44 H new ATOM 0 HB3 LYS A 43 -21.542 -0.598 -19.420 1.00 61.44 H new ATOM 0 HG2 LYS A 43 -21.246 -2.330 -20.837 1.00 30.14 H new ATOM 0 HG3 LYS A 43 -20.178 -3.171 -19.731 1.00 30.14 H new ATOM 0 HD2 LYS A 43 -23.103 -3.091 -19.051 1.00 52.41 H new ATOM 0 HD3 LYS A 43 -22.607 -4.120 -20.380 1.00 52.41 H new ATOM 0 HE2 LYS A 43 -21.994 -5.685 -18.884 1.00 73.13 H new ATOM 0 HE3 LYS A 43 -20.716 -4.617 -18.340 1.00 73.13 H new ATOM 0 HZ1 LYS A 43 -22.060 -5.225 -16.482 1.00 70.43 H new ATOM 0 HZ2 LYS A 43 -22.348 -3.583 -16.806 1.00 70.43 H new ATOM 0 HZ3 LYS A 43 -23.489 -4.753 -17.268 1.00 70.43 H new ATOM 709 N GLY A 44 -18.117 -0.396 -19.934 1.00 71.10 N ATOM 710 CA GLY A 44 -17.432 0.563 -20.781 1.00 24.33 C ATOM 711 C GLY A 44 -16.410 -0.092 -21.689 1.00 25.14 C ATOM 712 O GLY A 44 -16.183 0.363 -22.809 1.00 74.51 O ATOM 0 H GLY A 44 -17.761 -1.350 -19.992 1.00 71.10 H new ATOM 0 HA2 GLY A 44 -18.164 1.095 -21.388 1.00 24.33 H new ATOM 0 HA3 GLY A 44 -16.936 1.305 -20.156 1.00 24.33 H new ATOM 716 N ASN A 45 -15.789 -1.163 -21.203 1.00 41.52 N ATOM 717 CA ASN A 45 -14.783 -1.880 -21.978 1.00 51.23 C ATOM 718 C ASN A 45 -13.521 -1.039 -22.142 1.00 41.54 C ATOM 719 O ASN A 45 -13.411 0.050 -21.580 1.00 1.24 O ATOM 720 CB ASN A 45 -15.341 -2.256 -23.352 1.00 62.25 C ATOM 721 CG ASN A 45 -15.141 -3.724 -23.675 1.00 60.42 C ATOM 722 OD1 ASN A 45 -14.042 -4.259 -23.530 1.00 64.22 O ATOM 723 ND2 ASN A 45 -16.206 -4.383 -24.116 1.00 33.52 N ATOM 0 H ASN A 45 -15.965 -1.553 -20.277 1.00 41.52 H new ATOM 0 HA ASN A 45 -14.524 -2.790 -21.437 1.00 51.23 H new ATOM 0 HB2 ASN A 45 -16.405 -2.021 -23.386 1.00 62.25 H new ATOM 0 HB3 ASN A 45 -14.856 -1.649 -24.117 1.00 62.25 H new ATOM 0 HD21 ASN A 45 -16.132 -5.373 -24.350 1.00 33.52 H new ATOM 0 HD22 ASN A 45 -17.098 -3.899 -24.221 1.00 33.52 H new ATOM 730 N ALA A 46 -12.571 -1.551 -22.918 1.00 33.41 N ATOM 731 CA ALA A 46 -11.318 -0.847 -23.159 1.00 12.25 C ATOM 732 C ALA A 46 -11.573 0.589 -23.606 1.00 23.33 C ATOM 733 O ALA A 46 -10.856 1.508 -23.210 1.00 14.51 O ATOM 734 CB ALA A 46 -10.488 -1.586 -24.197 1.00 71.05 C ATOM 0 H ALA A 46 -12.646 -2.452 -23.391 1.00 33.41 H new ATOM 0 HA ALA A 46 -10.762 -0.815 -22.222 1.00 12.25 H new ATOM 0 HB1 ALA A 46 -9.555 -1.048 -24.367 1.00 71.05 H new ATOM 0 HB2 ALA A 46 -10.267 -2.591 -23.838 1.00 71.05 H new ATOM 0 HB3 ALA A 46 -11.046 -1.649 -25.131 1.00 71.05 H new ATOM 740 N ASP A 47 -12.596 0.773 -24.433 1.00 2.13 N ATOM 741 CA ASP A 47 -12.945 2.097 -24.934 1.00 1.43 C ATOM 742 C ASP A 47 -13.025 3.106 -23.792 1.00 54.33 C ATOM 743 O ASP A 47 -12.454 4.193 -23.871 1.00 51.24 O ATOM 744 CB ASP A 47 -14.278 2.048 -25.682 1.00 61.21 C ATOM 745 CG ASP A 47 -14.632 3.376 -26.322 1.00 34.23 C ATOM 746 OD1 ASP A 47 -13.797 3.911 -27.079 1.00 65.24 O ATOM 747 OD2 ASP A 47 -15.745 3.881 -26.064 1.00 75.40 O ATOM 0 H ASP A 47 -13.198 0.022 -24.771 1.00 2.13 H new ATOM 0 HA ASP A 47 -12.163 2.416 -25.623 1.00 1.43 H new ATOM 0 HB2 ASP A 47 -14.231 1.278 -26.452 1.00 61.21 H new ATOM 0 HB3 ASP A 47 -15.069 1.759 -24.990 1.00 61.21 H new ATOM 752 N GLU A 48 -13.739 2.738 -22.733 1.00 54.30 N ATOM 753 CA GLU A 48 -13.896 3.613 -21.577 1.00 23.12 C ATOM 754 C GLU A 48 -12.695 3.498 -20.642 1.00 13.14 C ATOM 755 O GLU A 48 -12.199 4.499 -20.125 1.00 1.23 O ATOM 756 CB GLU A 48 -15.180 3.270 -20.820 1.00 34.22 C ATOM 757 CG GLU A 48 -16.448 3.602 -21.590 1.00 4.25 C ATOM 758 CD GLU A 48 -16.469 5.034 -22.087 1.00 51.51 C ATOM 759 OE1 GLU A 48 -16.652 5.949 -21.257 1.00 33.12 O ATOM 760 OE2 GLU A 48 -16.302 5.240 -23.308 1.00 13.44 O ATOM 0 H GLU A 48 -14.217 1.841 -22.652 1.00 54.30 H new ATOM 0 HA GLU A 48 -13.959 4.640 -21.936 1.00 23.12 H new ATOM 0 HB2 GLU A 48 -15.178 2.206 -20.581 1.00 34.22 H new ATOM 0 HB3 GLU A 48 -15.188 3.809 -19.873 1.00 34.22 H new ATOM 0 HG2 GLU A 48 -16.541 2.925 -22.439 1.00 4.25 H new ATOM 0 HG3 GLU A 48 -17.313 3.431 -20.950 1.00 4.25 H new ATOM 767 N PHE A 49 -12.234 2.270 -20.428 1.00 51.24 N ATOM 768 CA PHE A 49 -11.093 2.023 -19.554 1.00 52.05 C ATOM 769 C PHE A 49 -9.903 2.889 -19.956 1.00 63.34 C ATOM 770 O PHE A 49 -9.224 3.464 -19.105 1.00 55.11 O ATOM 771 CB PHE A 49 -10.701 0.545 -19.598 1.00 70.33 C ATOM 772 CG PHE A 49 -9.586 0.192 -18.656 1.00 11.13 C ATOM 773 CD1 PHE A 49 -9.519 0.764 -17.396 1.00 14.24 C ATOM 774 CD2 PHE A 49 -8.604 -0.711 -19.030 1.00 73.20 C ATOM 775 CE1 PHE A 49 -8.495 0.442 -16.525 1.00 60.35 C ATOM 776 CE2 PHE A 49 -7.578 -1.038 -18.164 1.00 42.12 C ATOM 777 CZ PHE A 49 -7.522 -0.460 -16.911 1.00 13.11 C ATOM 0 H PHE A 49 -12.633 1.430 -20.848 1.00 51.24 H new ATOM 0 HA PHE A 49 -11.383 2.285 -18.536 1.00 52.05 H new ATOM 0 HB2 PHE A 49 -11.574 -0.061 -19.358 1.00 70.33 H new ATOM 0 HB3 PHE A 49 -10.403 0.287 -20.614 1.00 70.33 H new ATOM 0 HD1 PHE A 49 -10.276 1.471 -17.090 1.00 14.24 H new ATOM 0 HD2 PHE A 49 -8.641 -1.164 -20.009 1.00 73.20 H new ATOM 0 HE1 PHE A 49 -8.456 0.894 -15.545 1.00 60.35 H new ATOM 0 HE2 PHE A 49 -6.820 -1.745 -18.467 1.00 42.12 H new ATOM 0 HZ PHE A 49 -6.719 -0.713 -16.234 1.00 13.11 H new ATOM 787 N ARG A 50 -9.655 2.975 -21.259 1.00 42.52 N ATOM 788 CA ARG A 50 -8.546 3.769 -21.775 1.00 23.13 C ATOM 789 C ARG A 50 -8.829 5.261 -21.626 1.00 21.25 C ATOM 790 O ARG A 50 -8.007 6.010 -21.100 1.00 23.44 O ATOM 791 CB ARG A 50 -8.290 3.432 -23.245 1.00 2.01 C ATOM 792 CG ARG A 50 -7.783 2.016 -23.466 1.00 54.11 C ATOM 793 CD ARG A 50 -6.626 1.687 -22.536 1.00 61.25 C ATOM 794 NE ARG A 50 -5.963 0.440 -22.908 1.00 70.32 N ATOM 795 CZ ARG A 50 -4.910 -0.053 -22.266 1.00 1.34 C ATOM 796 NH1 ARG A 50 -4.403 0.593 -21.224 1.00 70.14 N ATOM 797 NH2 ARG A 50 -4.362 -1.194 -22.664 1.00 1.31 N ATOM 0 H ARG A 50 -10.207 2.505 -21.976 1.00 42.52 H new ATOM 0 HA ARG A 50 -7.657 3.526 -21.193 1.00 23.13 H new ATOM 0 HB2 ARG A 50 -9.214 3.570 -23.807 1.00 2.01 H new ATOM 0 HB3 ARG A 50 -7.563 4.136 -23.649 1.00 2.01 H new ATOM 0 HG2 ARG A 50 -8.595 1.308 -23.302 1.00 54.11 H new ATOM 0 HG3 ARG A 50 -7.463 1.900 -24.502 1.00 54.11 H new ATOM 0 HD2 ARG A 50 -5.902 2.502 -22.555 1.00 61.25 H new ATOM 0 HD3 ARG A 50 -6.994 1.611 -21.513 1.00 61.25 H new ATOM 0 HE ARG A 50 -6.329 -0.081 -23.705 1.00 70.32 H new ATOM 0 HH11 ARG A 50 -4.822 1.470 -20.915 1.00 70.14 H new ATOM 0 HH12 ARG A 50 -3.594 0.213 -20.732 1.00 70.14 H new ATOM 0 HH21 ARG A 50 -4.749 -1.694 -23.464 1.00 1.31 H new ATOM 0 HH22 ARG A 50 -3.553 -1.571 -22.170 1.00 1.31 H new ATOM 811 N GLY A 51 -9.999 5.686 -22.093 1.00 61.32 N ATOM 812 CA GLY A 51 -10.370 7.086 -22.003 1.00 25.10 C ATOM 813 C GLY A 51 -10.658 7.519 -20.579 1.00 61.22 C ATOM 814 O GLY A 51 -10.969 8.683 -20.328 1.00 62.32 O ATOM 0 H GLY A 51 -10.697 5.085 -22.532 1.00 61.32 H new ATOM 0 HA2 GLY A 51 -9.566 7.699 -22.410 1.00 25.10 H new ATOM 0 HA3 GLY A 51 -11.251 7.266 -22.619 1.00 25.10 H new ATOM 818 N ALA A 52 -10.556 6.579 -19.645 1.00 13.33 N ATOM 819 CA ALA A 52 -10.808 6.870 -18.239 1.00 12.02 C ATOM 820 C ALA A 52 -9.551 6.660 -17.401 1.00 54.30 C ATOM 821 O ALA A 52 -9.419 7.219 -16.311 1.00 62.03 O ATOM 822 CB ALA A 52 -11.944 6.003 -17.716 1.00 11.21 C ATOM 0 H ALA A 52 -10.301 5.610 -19.836 1.00 13.33 H new ATOM 0 HA ALA A 52 -11.097 7.918 -18.157 1.00 12.02 H new ATOM 0 HB1 ALA A 52 -12.121 6.231 -16.665 1.00 11.21 H new ATOM 0 HB2 ALA A 52 -12.849 6.205 -18.289 1.00 11.21 H new ATOM 0 HB3 ALA A 52 -11.676 4.951 -17.819 1.00 11.21 H new ATOM 828 N LEU A 53 -8.631 5.852 -17.915 1.00 75.24 N ATOM 829 CA LEU A 53 -7.384 5.567 -17.214 1.00 14.40 C ATOM 830 C LEU A 53 -6.710 6.857 -16.757 1.00 14.21 C ATOM 831 O LEU A 53 -6.838 7.909 -17.384 1.00 12.24 O ATOM 832 CB LEU A 53 -6.437 4.776 -18.117 1.00 51.15 C ATOM 833 CG LEU A 53 -6.128 3.345 -17.676 1.00 42.12 C ATOM 834 CD1 LEU A 53 -6.551 2.353 -18.748 1.00 62.32 C ATOM 835 CD2 LEU A 53 -4.647 3.193 -17.360 1.00 71.42 C ATOM 0 H LEU A 53 -8.725 5.382 -18.815 1.00 75.24 H new ATOM 0 HA LEU A 53 -7.619 4.969 -16.333 1.00 14.40 H new ATOM 0 HB2 LEU A 53 -6.866 4.742 -19.118 1.00 51.15 H new ATOM 0 HB3 LEU A 53 -5.497 5.323 -18.192 1.00 51.15 H new ATOM 0 HG LEU A 53 -6.696 3.133 -16.770 1.00 42.12 H new ATOM 0 HD11 LEU A 53 -6.323 1.340 -18.416 1.00 62.32 H new ATOM 0 HD12 LEU A 53 -7.623 2.444 -18.926 1.00 62.32 H new ATOM 0 HD13 LEU A 53 -6.011 2.563 -19.671 1.00 62.32 H new ATOM 0 HD21 LEU A 53 -4.445 2.168 -17.048 1.00 71.42 H new ATOM 0 HD22 LEU A 53 -4.060 3.424 -18.249 1.00 71.42 H new ATOM 0 HD23 LEU A 53 -4.374 3.878 -16.557 1.00 71.42 H new ATOM 847 N PRO A 54 -5.973 6.776 -15.639 1.00 52.03 N ATOM 848 CA PRO A 54 -5.262 7.927 -15.075 1.00 21.22 C ATOM 849 C PRO A 54 -4.082 8.360 -15.939 1.00 33.23 C ATOM 850 O PRO A 54 -3.257 7.538 -16.336 1.00 73.22 O ATOM 851 CB PRO A 54 -4.771 7.411 -13.720 1.00 34.13 C ATOM 852 CG PRO A 54 -4.677 5.934 -13.889 1.00 23.34 C ATOM 853 CD PRO A 54 -5.777 5.554 -14.841 1.00 2.41 C ATOM 0 HA PRO A 54 -5.901 8.807 -15.006 1.00 21.22 H new ATOM 0 HB2 PRO A 54 -3.804 7.842 -13.459 1.00 34.13 H new ATOM 0 HB3 PRO A 54 -5.464 7.675 -12.921 1.00 34.13 H new ATOM 0 HG2 PRO A 54 -3.703 5.648 -14.285 1.00 23.34 H new ATOM 0 HG3 PRO A 54 -4.795 5.424 -12.933 1.00 23.34 H new ATOM 0 HD2 PRO A 54 -5.493 4.707 -15.466 1.00 2.41 H new ATOM 0 HD3 PRO A 54 -6.686 5.269 -14.312 1.00 2.41 H new ATOM 861 N ALA A 55 -4.009 9.655 -16.225 1.00 43.51 N ATOM 862 CA ALA A 55 -2.928 10.198 -17.040 1.00 33.52 C ATOM 863 C ALA A 55 -1.672 10.425 -16.205 1.00 73.43 C ATOM 864 O ALA A 55 -0.556 10.372 -16.720 1.00 32.32 O ATOM 865 CB ALA A 55 -3.367 11.496 -17.701 1.00 65.35 C ATOM 0 H ALA A 55 -4.685 10.348 -15.905 1.00 43.51 H new ATOM 0 HA ALA A 55 -2.690 9.470 -17.816 1.00 33.52 H new ATOM 0 HB1 ALA A 55 -2.551 11.890 -18.306 1.00 65.35 H new ATOM 0 HB2 ALA A 55 -4.231 11.306 -18.337 1.00 65.35 H new ATOM 0 HB3 ALA A 55 -3.634 12.223 -16.934 1.00 65.35 H new ATOM 871 N ASN A 56 -1.863 10.678 -14.915 1.00 1.44 N ATOM 872 CA ASN A 56 -0.744 10.915 -14.009 1.00 55.00 C ATOM 873 C ASN A 56 -0.727 9.884 -12.885 1.00 34.13 C ATOM 874 O ASN A 56 -0.175 10.129 -11.812 1.00 63.02 O ATOM 875 CB ASN A 56 -0.826 12.325 -13.422 1.00 15.44 C ATOM 876 CG ASN A 56 -1.151 13.371 -14.471 1.00 62.11 C ATOM 877 OD1 ASN A 56 -0.400 13.559 -15.428 1.00 41.53 O ATOM 878 ND2 ASN A 56 -2.274 14.057 -14.295 1.00 73.23 N ATOM 0 H ASN A 56 -2.781 10.724 -14.473 1.00 1.44 H new ATOM 0 HA ASN A 56 0.180 10.820 -14.579 1.00 55.00 H new ATOM 0 HB2 ASN A 56 -1.588 12.347 -12.643 1.00 15.44 H new ATOM 0 HB3 ASN A 56 0.123 12.574 -12.947 1.00 15.44 H new ATOM 0 HD21 ASN A 56 -2.545 14.774 -14.968 1.00 73.23 H new ATOM 0 HD22 ASN A 56 -2.866 13.867 -13.486 1.00 73.23 H new ATOM 885 N ASP A 57 -1.336 8.730 -13.138 1.00 44.51 N ATOM 886 CA ASP A 57 -1.389 7.661 -12.148 1.00 73.24 C ATOM 887 C ASP A 57 -1.523 6.300 -12.825 1.00 53.34 C ATOM 888 O ASP A 57 -1.507 6.203 -14.053 1.00 65.50 O ATOM 889 CB ASP A 57 -2.559 7.884 -11.188 1.00 25.31 C ATOM 890 CG ASP A 57 -2.124 7.877 -9.735 1.00 50.25 C ATOM 891 OD1 ASP A 57 -1.713 8.945 -9.235 1.00 34.23 O ATOM 892 OD2 ASP A 57 -2.194 6.804 -9.100 1.00 3.33 O ATOM 0 H ASP A 57 -1.799 8.512 -14.020 1.00 44.51 H new ATOM 0 HA ASP A 57 -0.457 7.676 -11.583 1.00 73.24 H new ATOM 0 HB2 ASP A 57 -3.037 8.837 -11.417 1.00 25.31 H new ATOM 0 HB3 ASP A 57 -3.307 7.107 -11.344 1.00 25.31 H new ATOM 897 N CYS A 58 -1.655 5.254 -12.018 1.00 21.12 N ATOM 898 CA CYS A 58 -1.790 3.898 -12.539 1.00 2.22 C ATOM 899 C CYS A 58 -3.034 3.220 -11.975 1.00 12.32 C ATOM 900 O CYS A 58 -3.349 3.362 -10.793 1.00 25.21 O ATOM 901 CB CYS A 58 -0.547 3.073 -12.200 1.00 52.53 C ATOM 902 SG CYS A 58 -0.096 1.864 -13.467 1.00 14.05 S ATOM 0 H CYS A 58 -1.671 5.318 -11.000 1.00 21.12 H new ATOM 0 HA CYS A 58 -1.892 3.960 -13.622 1.00 2.22 H new ATOM 0 HB2 CYS A 58 0.293 3.749 -12.043 1.00 52.53 H new ATOM 0 HB3 CYS A 58 -0.716 2.551 -11.258 1.00 52.53 H new ATOM 0 HG CYS A 58 0.967 1.218 -13.091 1.00 14.05 H new ATOM 908 N ARG A 59 -3.739 2.485 -12.828 1.00 54.13 N ATOM 909 CA ARG A 59 -4.951 1.788 -12.416 1.00 34.43 C ATOM 910 C ARG A 59 -5.164 0.527 -13.249 1.00 42.22 C ATOM 911 O ARG A 59 -4.727 0.449 -14.398 1.00 23.35 O ATOM 912 CB ARG A 59 -6.165 2.709 -12.547 1.00 14.22 C ATOM 913 CG ARG A 59 -6.267 3.744 -11.438 1.00 70.11 C ATOM 914 CD ARG A 59 -7.422 4.704 -11.676 1.00 50.03 C ATOM 915 NE ARG A 59 -7.029 6.095 -11.468 1.00 52.12 N ATOM 916 CZ ARG A 59 -6.716 6.601 -10.280 1.00 74.43 C ATOM 917 NH1 ARG A 59 -6.750 5.833 -9.200 1.00 30.02 N ATOM 918 NH2 ARG A 59 -6.369 7.877 -10.172 1.00 24.55 N ATOM 0 H ARG A 59 -3.492 2.357 -13.809 1.00 54.13 H new ATOM 0 HA ARG A 59 -4.835 1.498 -11.372 1.00 34.43 H new ATOM 0 HB2 ARG A 59 -6.119 3.222 -13.508 1.00 14.22 H new ATOM 0 HB3 ARG A 59 -7.071 2.103 -12.552 1.00 14.22 H new ATOM 0 HG2 ARG A 59 -6.402 3.241 -10.481 1.00 70.11 H new ATOM 0 HG3 ARG A 59 -5.334 4.304 -11.375 1.00 70.11 H new ATOM 0 HD2 ARG A 59 -7.792 4.580 -12.694 1.00 50.03 H new ATOM 0 HD3 ARG A 59 -8.244 4.455 -11.005 1.00 50.03 H new ATOM 0 HE ARG A 59 -6.993 6.712 -12.279 1.00 52.12 H new ATOM 0 HH11 ARG A 59 -7.017 4.852 -9.280 1.00 30.02 H new ATOM 0 HH12 ARG A 59 -6.509 6.223 -8.289 1.00 30.02 H new ATOM 0 HH21 ARG A 59 -6.342 8.470 -11.001 1.00 24.55 H new ATOM 0 HH22 ARG A 59 -6.129 8.265 -9.260 1.00 24.55 H new ATOM 932 N PHE A 60 -5.837 -0.457 -12.663 1.00 32.11 N ATOM 933 CA PHE A 60 -6.106 -1.715 -13.350 1.00 53.45 C ATOM 934 C PHE A 60 -7.606 -1.993 -13.408 1.00 25.13 C ATOM 935 O PHE A 60 -8.373 -1.489 -12.589 1.00 54.25 O ATOM 936 CB PHE A 60 -5.388 -2.868 -12.648 1.00 33.53 C ATOM 937 CG PHE A 60 -4.952 -2.540 -11.248 1.00 54.24 C ATOM 938 CD1 PHE A 60 -5.844 -2.630 -10.192 1.00 31.33 C ATOM 939 CD2 PHE A 60 -3.651 -2.141 -10.990 1.00 30.04 C ATOM 940 CE1 PHE A 60 -5.446 -2.328 -8.903 1.00 42.43 C ATOM 941 CE2 PHE A 60 -3.247 -1.837 -9.703 1.00 62.51 C ATOM 942 CZ PHE A 60 -4.145 -1.932 -8.659 1.00 12.05 C ATOM 0 H PHE A 60 -6.206 -0.408 -11.714 1.00 32.11 H new ATOM 0 HA PHE A 60 -5.731 -1.631 -14.370 1.00 53.45 H new ATOM 0 HB2 PHE A 60 -6.049 -3.734 -12.620 1.00 33.53 H new ATOM 0 HB3 PHE A 60 -4.515 -3.152 -13.235 1.00 33.53 H new ATOM 0 HD1 PHE A 60 -6.862 -2.940 -10.378 1.00 31.33 H new ATOM 0 HD2 PHE A 60 -2.944 -2.066 -11.803 1.00 30.04 H new ATOM 0 HE1 PHE A 60 -6.151 -2.401 -8.088 1.00 42.43 H new ATOM 0 HE2 PHE A 60 -2.230 -1.526 -9.515 1.00 62.51 H new ATOM 0 HZ PHE A 60 -3.831 -1.697 -7.653 1.00 12.05 H new ATOM 952 N GLY A 61 -8.015 -2.800 -14.382 1.00 61.10 N ATOM 953 CA GLY A 61 -9.420 -3.132 -14.529 1.00 40.44 C ATOM 954 C GLY A 61 -9.636 -4.579 -14.925 1.00 22.05 C ATOM 955 O GLY A 61 -8.878 -5.132 -15.721 1.00 70.35 O ATOM 0 H GLY A 61 -7.399 -3.230 -15.072 1.00 61.10 H new ATOM 0 HA2 GLY A 61 -9.937 -2.935 -13.590 1.00 40.44 H new ATOM 0 HA3 GLY A 61 -9.867 -2.482 -15.281 1.00 40.44 H new ATOM 959 N VAL A 62 -10.672 -5.196 -14.365 1.00 0.52 N ATOM 960 CA VAL A 62 -10.985 -6.588 -14.663 1.00 12.04 C ATOM 961 C VAL A 62 -12.181 -6.693 -15.603 1.00 22.44 C ATOM 962 O VAL A 62 -13.141 -5.930 -15.491 1.00 64.22 O ATOM 963 CB VAL A 62 -11.285 -7.383 -13.378 1.00 25.21 C ATOM 964 CG1 VAL A 62 -10.057 -7.432 -12.482 1.00 4.14 C ATOM 965 CG2 VAL A 62 -12.469 -6.777 -12.641 1.00 32.33 C ATOM 0 H VAL A 62 -11.309 -4.753 -13.702 1.00 0.52 H new ATOM 0 HA VAL A 62 -10.106 -7.013 -15.148 1.00 12.04 H new ATOM 0 HB VAL A 62 -11.544 -8.405 -13.656 1.00 25.21 H new ATOM 0 HG11 VAL A 62 -10.288 -7.998 -11.579 1.00 4.14 H new ATOM 0 HG12 VAL A 62 -9.238 -7.916 -13.014 1.00 4.14 H new ATOM 0 HG13 VAL A 62 -9.764 -6.418 -12.210 1.00 4.14 H new ATOM 0 HG21 VAL A 62 -12.667 -7.351 -11.736 1.00 32.33 H new ATOM 0 HG22 VAL A 62 -12.242 -5.745 -12.374 1.00 32.33 H new ATOM 0 HG23 VAL A 62 -13.348 -6.800 -13.285 1.00 32.33 H new ATOM 975 N TYR A 63 -12.116 -7.644 -16.528 1.00 75.01 N ATOM 976 CA TYR A 63 -13.193 -7.849 -17.490 1.00 12.43 C ATOM 977 C TYR A 63 -13.384 -9.333 -17.786 1.00 35.02 C ATOM 978 O TYR A 63 -12.483 -9.996 -18.300 1.00 33.24 O ATOM 979 CB TYR A 63 -12.898 -7.092 -18.786 1.00 70.52 C ATOM 980 CG TYR A 63 -13.284 -7.855 -20.033 1.00 70.24 C ATOM 981 CD1 TYR A 63 -14.617 -8.107 -20.333 1.00 15.44 C ATOM 982 CD2 TYR A 63 -12.316 -8.325 -20.912 1.00 23.22 C ATOM 983 CE1 TYR A 63 -14.975 -8.804 -21.471 1.00 0.35 C ATOM 984 CE2 TYR A 63 -12.664 -9.022 -22.053 1.00 11.22 C ATOM 985 CZ TYR A 63 -13.995 -9.259 -22.328 1.00 2.34 C ATOM 986 OH TYR A 63 -14.346 -9.953 -23.462 1.00 62.44 O ATOM 0 H TYR A 63 -11.329 -8.285 -16.632 1.00 75.01 H new ATOM 0 HA TYR A 63 -14.114 -7.463 -17.054 1.00 12.43 H new ATOM 0 HB2 TYR A 63 -13.432 -6.142 -18.772 1.00 70.52 H new ATOM 0 HB3 TYR A 63 -11.834 -6.859 -18.827 1.00 70.52 H new ATOM 0 HD1 TYR A 63 -15.387 -7.752 -19.665 1.00 15.44 H new ATOM 0 HD2 TYR A 63 -11.273 -8.142 -20.700 1.00 23.22 H new ATOM 0 HE1 TYR A 63 -16.016 -8.991 -21.688 1.00 0.35 H new ATOM 0 HE2 TYR A 63 -11.898 -9.379 -22.726 1.00 11.22 H new ATOM 0 HH TYR A 63 -13.537 -10.201 -23.957 1.00 62.44 H new ATOM 996 N ASP A 64 -14.565 -9.847 -17.458 1.00 64.44 N ATOM 997 CA ASP A 64 -14.877 -11.253 -17.690 1.00 41.11 C ATOM 998 C ASP A 64 -14.650 -11.626 -19.152 1.00 21.33 C ATOM 999 O ASP A 64 -15.471 -11.317 -20.016 1.00 62.32 O ATOM 1000 CB ASP A 64 -16.325 -11.548 -17.294 1.00 44.34 C ATOM 1001 CG ASP A 64 -16.493 -12.935 -16.707 1.00 73.21 C ATOM 1002 OD1 ASP A 64 -15.662 -13.326 -15.861 1.00 14.31 O ATOM 1003 OD2 ASP A 64 -17.456 -13.631 -17.094 1.00 44.24 O ATOM 0 H ASP A 64 -15.321 -9.312 -17.031 1.00 64.44 H new ATOM 0 HA ASP A 64 -14.210 -11.855 -17.073 1.00 41.11 H new ATOM 0 HB2 ASP A 64 -16.658 -10.806 -16.568 1.00 44.34 H new ATOM 0 HB3 ASP A 64 -16.966 -11.447 -18.170 1.00 44.34 H new ATOM 1008 N CYS A 65 -13.532 -12.291 -19.420 1.00 45.22 N ATOM 1009 CA CYS A 65 -13.195 -12.705 -20.778 1.00 13.31 C ATOM 1010 C CYS A 65 -13.830 -14.051 -21.109 1.00 31.54 C ATOM 1011 O CYS A 65 -13.713 -14.546 -22.229 1.00 21.22 O ATOM 1012 CB CYS A 65 -11.678 -12.787 -20.947 1.00 24.30 C ATOM 1013 SG CYS A 65 -11.106 -12.493 -22.637 1.00 0.51 S ATOM 0 H CYS A 65 -12.843 -12.555 -18.715 1.00 45.22 H new ATOM 0 HA CYS A 65 -13.589 -11.959 -21.468 1.00 13.31 H new ATOM 0 HB2 CYS A 65 -11.210 -12.059 -20.285 1.00 24.30 H new ATOM 0 HB3 CYS A 65 -11.340 -13.773 -20.627 1.00 24.30 H new ATOM 0 HG CYS A 65 -9.812 -12.371 -22.642 1.00 0.51 H new ATOM 1019 N GLY A 66 -14.502 -14.641 -20.124 1.00 51.02 N ATOM 1020 CA GLY A 66 -15.144 -15.926 -20.330 1.00 60.21 C ATOM 1021 C GLY A 66 -14.267 -17.087 -19.904 1.00 14.14 C ATOM 1022 O GLY A 66 -14.763 -18.101 -19.415 1.00 15.03 O ATOM 0 H GLY A 66 -14.613 -14.252 -19.188 1.00 51.02 H new ATOM 0 HA2 GLY A 66 -16.078 -15.956 -19.770 1.00 60.21 H new ATOM 0 HA3 GLY A 66 -15.400 -16.036 -21.384 1.00 60.21 H new ATOM 1026 N ASN A 67 -12.960 -16.939 -20.091 1.00 2.15 N ATOM 1027 CA ASN A 67 -12.012 -17.985 -19.724 1.00 11.15 C ATOM 1028 C ASN A 67 -11.048 -17.493 -18.648 1.00 53.31 C ATOM 1029 O ASN A 67 -10.528 -18.280 -17.857 1.00 13.20 O ATOM 1030 CB ASN A 67 -11.228 -18.447 -20.954 1.00 15.41 C ATOM 1031 CG ASN A 67 -11.588 -19.860 -21.371 1.00 44.43 C ATOM 1032 OD1 ASN A 67 -11.948 -20.106 -22.522 1.00 54.13 O ATOM 1033 ND2 ASN A 67 -11.490 -20.796 -20.435 1.00 12.24 N ATOM 0 H ASN A 67 -12.533 -16.105 -20.494 1.00 2.15 H new ATOM 0 HA ASN A 67 -12.576 -18.827 -19.324 1.00 11.15 H new ATOM 0 HB2 ASN A 67 -11.422 -17.766 -21.782 1.00 15.41 H new ATOM 0 HB3 ASN A 67 -10.160 -18.394 -20.742 1.00 15.41 H new ATOM 0 HD21 ASN A 67 -11.717 -21.765 -20.657 1.00 12.24 H new ATOM 0 HD22 ASN A 67 -11.187 -20.546 -19.494 1.00 12.24 H new ATOM 1040 N LYS A 68 -10.815 -16.185 -18.625 1.00 4.14 N ATOM 1041 CA LYS A 68 -9.915 -15.585 -17.646 1.00 32.40 C ATOM 1042 C LYS A 68 -10.167 -14.086 -17.522 1.00 70.04 C ATOM 1043 O LYS A 68 -11.009 -13.529 -18.227 1.00 41.34 O ATOM 1044 CB LYS A 68 -8.458 -15.838 -18.040 1.00 11.20 C ATOM 1045 CG LYS A 68 -8.056 -15.170 -19.344 1.00 11.14 C ATOM 1046 CD LYS A 68 -8.466 -16.003 -20.546 1.00 50.25 C ATOM 1047 CE LYS A 68 -9.345 -15.209 -21.501 1.00 34.15 C ATOM 1048 NZ LYS A 68 -9.013 -15.490 -22.925 1.00 2.43 N ATOM 0 H LYS A 68 -11.237 -15.520 -19.273 1.00 4.14 H new ATOM 0 HA LYS A 68 -10.109 -16.049 -16.679 1.00 32.40 H new ATOM 0 HB2 LYS A 68 -7.807 -15.480 -17.242 1.00 11.20 H new ATOM 0 HB3 LYS A 68 -8.295 -16.912 -18.126 1.00 11.20 H new ATOM 0 HG2 LYS A 68 -8.519 -14.185 -19.407 1.00 11.14 H new ATOM 0 HG3 LYS A 68 -6.977 -15.016 -19.358 1.00 11.14 H new ATOM 0 HD2 LYS A 68 -7.576 -16.348 -21.071 1.00 50.25 H new ATOM 0 HD3 LYS A 68 -9.002 -16.890 -20.209 1.00 50.25 H new ATOM 0 HE2 LYS A 68 -10.392 -15.452 -21.318 1.00 34.15 H new ATOM 0 HE3 LYS A 68 -9.225 -14.144 -21.304 1.00 34.15 H new ATOM 0 HZ1 LYS A 68 -9.634 -14.930 -23.543 1.00 2.43 H new ATOM 0 HZ2 LYS A 68 -8.021 -15.235 -23.107 1.00 2.43 H new ATOM 0 HZ3 LYS A 68 -9.152 -16.502 -23.121 1.00 2.43 H new ATOM 1062 N ILE A 69 -9.432 -13.439 -16.624 1.00 62.34 N ATOM 1063 CA ILE A 69 -9.574 -12.004 -16.412 1.00 34.45 C ATOM 1064 C ILE A 69 -8.305 -11.260 -16.813 1.00 33.33 C ATOM 1065 O ILE A 69 -7.379 -11.120 -16.015 1.00 65.32 O ATOM 1066 CB ILE A 69 -9.901 -11.683 -14.941 1.00 74.12 C ATOM 1067 CG1 ILE A 69 -11.086 -12.525 -14.464 1.00 32.33 C ATOM 1068 CG2 ILE A 69 -10.198 -10.200 -14.776 1.00 72.15 C ATOM 1069 CD1 ILE A 69 -12.255 -12.523 -15.424 1.00 13.44 C ATOM 0 H ILE A 69 -8.732 -13.886 -16.032 1.00 62.34 H new ATOM 0 HA ILE A 69 -10.400 -11.672 -17.041 1.00 34.45 H new ATOM 0 HB ILE A 69 -9.034 -11.930 -14.329 1.00 74.12 H new ATOM 0 HG12 ILE A 69 -10.753 -13.552 -14.312 1.00 32.33 H new ATOM 0 HG13 ILE A 69 -11.421 -12.151 -13.496 1.00 32.33 H new ATOM 0 HG21 ILE A 69 -10.427 -9.989 -13.731 1.00 72.15 H new ATOM 0 HG22 ILE A 69 -9.328 -9.619 -15.081 1.00 72.15 H new ATOM 0 HG23 ILE A 69 -11.052 -9.929 -15.397 1.00 72.15 H new ATOM 0 HD11 ILE A 69 -13.058 -13.140 -15.021 1.00 13.44 H new ATOM 0 HD12 ILE A 69 -12.614 -11.503 -15.558 1.00 13.44 H new ATOM 0 HD13 ILE A 69 -11.937 -12.925 -16.386 1.00 13.44 H new ATOM 1081 N GLN A 70 -8.272 -10.784 -18.053 1.00 12.10 N ATOM 1082 CA GLN A 70 -7.117 -10.053 -18.559 1.00 42.43 C ATOM 1083 C GLN A 70 -7.166 -8.591 -18.128 1.00 1.32 C ATOM 1084 O GLN A 70 -7.911 -7.790 -18.694 1.00 21.33 O ATOM 1085 CB GLN A 70 -7.057 -10.145 -20.085 1.00 50.41 C ATOM 1086 CG GLN A 70 -5.703 -9.769 -20.665 1.00 1.23 C ATOM 1087 CD GLN A 70 -5.756 -8.504 -21.499 1.00 61.43 C ATOM 1088 OE1 GLN A 70 -6.072 -7.427 -20.995 1.00 11.52 O ATOM 1089 NE2 GLN A 70 -5.446 -8.629 -22.784 1.00 65.53 N ATOM 0 H GLN A 70 -9.031 -10.891 -18.725 1.00 12.10 H new ATOM 0 HA GLN A 70 -6.219 -10.507 -18.139 1.00 42.43 H new ATOM 0 HB2 GLN A 70 -7.303 -11.162 -20.389 1.00 50.41 H new ATOM 0 HB3 GLN A 70 -7.819 -9.492 -20.510 1.00 50.41 H new ATOM 0 HG2 GLN A 70 -4.989 -9.634 -19.853 1.00 1.23 H new ATOM 0 HG3 GLN A 70 -5.335 -10.590 -21.280 1.00 1.23 H new ATOM 0 HE21 GLN A 70 -5.190 -9.542 -23.160 1.00 65.53 H new ATOM 0 HE22 GLN A 70 -5.464 -7.812 -23.395 1.00 65.53 H new ATOM 1098 N PHE A 71 -6.368 -8.249 -17.122 1.00 2.32 N ATOM 1099 CA PHE A 71 -6.321 -6.883 -16.613 1.00 53.21 C ATOM 1100 C PHE A 71 -4.952 -6.256 -16.862 1.00 35.11 C ATOM 1101 O PHE A 71 -3.920 -6.846 -16.543 1.00 41.30 O ATOM 1102 CB PHE A 71 -6.640 -6.862 -15.117 1.00 22.23 C ATOM 1103 CG PHE A 71 -5.482 -7.272 -14.252 1.00 11.33 C ATOM 1104 CD1 PHE A 71 -5.034 -8.583 -14.247 1.00 4.43 C ATOM 1105 CD2 PHE A 71 -4.843 -6.346 -13.443 1.00 42.22 C ATOM 1106 CE1 PHE A 71 -3.968 -8.963 -13.452 1.00 53.22 C ATOM 1107 CE2 PHE A 71 -3.777 -6.720 -12.647 1.00 42.11 C ATOM 1108 CZ PHE A 71 -3.340 -8.030 -12.651 1.00 22.24 C ATOM 0 H PHE A 71 -5.745 -8.899 -16.643 1.00 2.32 H new ATOM 0 HA PHE A 71 -7.071 -6.298 -17.145 1.00 53.21 H new ATOM 0 HB2 PHE A 71 -6.956 -5.858 -14.835 1.00 22.23 H new ATOM 0 HB3 PHE A 71 -7.481 -7.527 -14.924 1.00 22.23 H new ATOM 0 HD1 PHE A 71 -5.523 -9.317 -14.871 1.00 4.43 H new ATOM 0 HD2 PHE A 71 -5.182 -5.321 -13.434 1.00 42.22 H new ATOM 0 HE1 PHE A 71 -3.627 -9.988 -13.458 1.00 53.22 H new ATOM 0 HE2 PHE A 71 -3.286 -5.988 -12.022 1.00 42.11 H new ATOM 0 HZ PHE A 71 -2.508 -8.324 -12.028 1.00 22.24 H new ATOM 1118 N VAL A 72 -4.953 -5.057 -17.435 1.00 3.53 N ATOM 1119 CA VAL A 72 -3.712 -4.348 -17.726 1.00 71.45 C ATOM 1120 C VAL A 72 -3.752 -2.924 -17.186 1.00 12.44 C ATOM 1121 O VAL A 72 -4.820 -2.318 -17.078 1.00 64.34 O ATOM 1122 CB VAL A 72 -3.434 -4.303 -19.241 1.00 35.32 C ATOM 1123 CG1 VAL A 72 -3.708 -5.659 -19.875 1.00 10.34 C ATOM 1124 CG2 VAL A 72 -4.269 -3.218 -19.903 1.00 53.30 C ATOM 0 H VAL A 72 -5.799 -4.556 -17.707 1.00 3.53 H new ATOM 0 HA VAL A 72 -2.911 -4.898 -17.232 1.00 71.45 H new ATOM 0 HB VAL A 72 -2.381 -4.064 -19.393 1.00 35.32 H new ATOM 0 HG11 VAL A 72 -3.506 -5.608 -20.945 1.00 10.34 H new ATOM 0 HG12 VAL A 72 -3.063 -6.411 -19.420 1.00 10.34 H new ATOM 0 HG13 VAL A 72 -4.751 -5.931 -19.715 1.00 10.34 H new ATOM 0 HG21 VAL A 72 -4.060 -3.200 -20.973 1.00 53.30 H new ATOM 0 HG22 VAL A 72 -5.327 -3.425 -19.743 1.00 53.30 H new ATOM 0 HG23 VAL A 72 -4.019 -2.250 -19.468 1.00 53.30 H new ATOM 1134 N LEU A 73 -2.583 -2.393 -16.846 1.00 41.42 N ATOM 1135 CA LEU A 73 -2.483 -1.037 -16.316 1.00 71.03 C ATOM 1136 C LEU A 73 -1.411 -0.242 -17.054 1.00 3.43 C ATOM 1137 O LEU A 73 -0.422 -0.803 -17.526 1.00 33.21 O ATOM 1138 CB LEU A 73 -2.167 -1.075 -14.820 1.00 74.20 C ATOM 1139 CG LEU A 73 -1.239 -2.199 -14.358 1.00 43.15 C ATOM 1140 CD1 LEU A 73 -1.944 -3.543 -14.444 1.00 70.51 C ATOM 1141 CD2 LEU A 73 0.038 -2.210 -15.187 1.00 75.23 C ATOM 0 H LEU A 73 -1.691 -2.880 -16.928 1.00 41.42 H new ATOM 0 HA LEU A 73 -3.443 -0.543 -16.466 1.00 71.03 H new ATOM 0 HB2 LEU A 73 -1.718 -0.122 -14.540 1.00 74.20 H new ATOM 0 HB3 LEU A 73 -3.106 -1.158 -14.273 1.00 74.20 H new ATOM 0 HG LEU A 73 -0.972 -2.019 -13.317 1.00 43.15 H new ATOM 0 HD11 LEU A 73 -1.268 -4.330 -14.111 1.00 70.51 H new ATOM 0 HD12 LEU A 73 -2.829 -3.531 -13.807 1.00 70.51 H new ATOM 0 HD13 LEU A 73 -2.242 -3.732 -15.475 1.00 70.51 H new ATOM 0 HD21 LEU A 73 0.687 -3.016 -14.845 1.00 75.23 H new ATOM 0 HD22 LEU A 73 -0.211 -2.365 -16.237 1.00 75.23 H new ATOM 0 HD23 LEU A 73 0.554 -1.256 -15.074 1.00 75.23 H new ATOM 1153 N TRP A 74 -1.612 1.068 -17.147 1.00 31.34 N ATOM 1154 CA TRP A 74 -0.661 1.941 -17.825 1.00 22.12 C ATOM 1155 C TRP A 74 0.183 2.713 -16.817 1.00 44.10 C ATOM 1156 O TRP A 74 -0.337 3.522 -16.048 1.00 32.13 O ATOM 1157 CB TRP A 74 -1.398 2.916 -18.744 1.00 61.25 C ATOM 1158 CG TRP A 74 -0.516 3.995 -19.296 1.00 22.23 C ATOM 1159 CD1 TRP A 74 0.319 3.901 -20.372 1.00 65.50 C ATOM 1160 CD2 TRP A 74 -0.380 5.330 -18.796 1.00 33.30 C ATOM 1161 NE1 TRP A 74 0.966 5.096 -20.572 1.00 0.44 N ATOM 1162 CE2 TRP A 74 0.553 5.990 -19.619 1.00 25.34 C ATOM 1163 CE3 TRP A 74 -0.958 6.032 -17.735 1.00 54.23 C ATOM 1164 CZ2 TRP A 74 0.921 7.316 -19.411 1.00 2.42 C ATOM 1165 CZ3 TRP A 74 -0.592 7.349 -17.530 1.00 71.22 C ATOM 1166 CH2 TRP A 74 0.340 7.980 -18.365 1.00 13.11 C ATOM 0 H TRP A 74 -2.425 1.549 -16.761 1.00 31.34 H new ATOM 0 HA TRP A 74 0.002 1.318 -18.425 1.00 22.12 H new ATOM 0 HB2 TRP A 74 -1.841 2.360 -19.571 1.00 61.25 H new ATOM 0 HB3 TRP A 74 -2.219 3.374 -18.192 1.00 61.25 H new ATOM 0 HD1 TRP A 74 0.451 3.016 -20.977 1.00 65.50 H new ATOM 0 HE1 TRP A 74 1.644 5.287 -21.310 1.00 0.44 H new ATOM 0 HE3 TRP A 74 -1.678 5.554 -17.087 1.00 54.23 H new ATOM 0 HZ2 TRP A 74 1.640 7.804 -20.053 1.00 2.42 H new ATOM 0 HZ3 TRP A 74 -1.032 7.901 -16.713 1.00 71.22 H new ATOM 0 HH2 TRP A 74 0.605 9.010 -18.179 1.00 13.11 H new ATOM 1177 N CYS A 75 1.487 2.459 -16.826 1.00 42.34 N ATOM 1178 CA CYS A 75 2.404 3.131 -15.912 1.00 14.12 C ATOM 1179 C CYS A 75 2.456 4.629 -16.197 1.00 31.50 C ATOM 1180 O CYS A 75 2.748 5.063 -17.311 1.00 52.42 O ATOM 1181 CB CYS A 75 3.805 2.529 -16.026 1.00 74.44 C ATOM 1182 SG CYS A 75 4.261 1.453 -14.647 1.00 33.15 S ATOM 0 H CYS A 75 1.933 1.792 -17.456 1.00 42.34 H new ATOM 0 HA CYS A 75 2.036 2.985 -14.896 1.00 14.12 H new ATOM 0 HB2 CYS A 75 3.870 1.960 -16.953 1.00 74.44 H new ATOM 0 HB3 CYS A 75 4.532 3.338 -16.097 1.00 74.44 H new ATOM 0 HG CYS A 75 5.461 0.991 -14.836 1.00 33.15 H new ATOM 1188 N PRO A 76 2.165 5.438 -15.168 1.00 32.34 N ATOM 1189 CA PRO A 76 2.171 6.899 -15.283 1.00 53.02 C ATOM 1190 C PRO A 76 3.578 7.461 -15.454 1.00 53.35 C ATOM 1191 O PRO A 76 4.514 7.034 -14.779 1.00 33.13 O ATOM 1192 CB PRO A 76 1.568 7.362 -13.955 1.00 13.43 C ATOM 1193 CG PRO A 76 1.855 6.254 -13.001 1.00 41.33 C ATOM 1194 CD PRO A 76 1.808 4.988 -13.811 1.00 40.35 C ATOM 0 HA PRO A 76 1.620 7.241 -16.159 1.00 53.02 H new ATOM 0 HB2 PRO A 76 2.017 8.298 -13.621 1.00 13.43 H new ATOM 0 HB3 PRO A 76 0.496 7.538 -14.047 1.00 13.43 H new ATOM 0 HG2 PRO A 76 2.832 6.383 -12.535 1.00 41.33 H new ATOM 0 HG3 PRO A 76 1.119 6.231 -12.197 1.00 41.33 H new ATOM 0 HD2 PRO A 76 2.511 4.245 -13.436 1.00 40.35 H new ATOM 0 HD3 PRO A 76 0.819 4.532 -13.786 1.00 40.35 H new ATOM 1202 N ASP A 77 3.720 8.422 -16.361 1.00 74.44 N ATOM 1203 CA ASP A 77 5.013 9.044 -16.620 1.00 72.32 C ATOM 1204 C ASP A 77 5.238 10.235 -15.694 1.00 71.12 C ATOM 1205 O ASP A 77 6.261 10.913 -15.776 1.00 62.33 O ATOM 1206 CB ASP A 77 5.104 9.492 -18.080 1.00 1.13 C ATOM 1207 CG ASP A 77 6.536 9.701 -18.533 1.00 13.23 C ATOM 1208 OD1 ASP A 77 7.265 8.698 -18.675 1.00 20.20 O ATOM 1209 OD2 ASP A 77 6.927 10.868 -18.744 1.00 40.40 O ATOM 0 H ASP A 77 2.955 8.787 -16.929 1.00 74.44 H new ATOM 0 HA ASP A 77 5.790 8.305 -16.426 1.00 72.32 H new ATOM 0 HB2 ASP A 77 4.630 8.745 -18.717 1.00 1.13 H new ATOM 0 HB3 ASP A 77 4.546 10.420 -18.208 1.00 1.13 H new ATOM 1214 N ASN A 78 4.274 10.484 -14.814 1.00 54.31 N ATOM 1215 CA ASN A 78 4.366 11.595 -13.873 1.00 72.05 C ATOM 1216 C ASN A 78 5.070 11.164 -12.591 1.00 5.34 C ATOM 1217 O ASN A 78 5.729 11.969 -11.932 1.00 62.43 O ATOM 1218 CB ASN A 78 2.971 12.131 -13.547 1.00 15.11 C ATOM 1219 CG ASN A 78 3.017 13.475 -12.845 1.00 61.23 C ATOM 1220 OD1 ASN A 78 3.057 14.523 -13.490 1.00 22.02 O ATOM 1221 ND2 ASN A 78 3.012 13.449 -11.518 1.00 2.34 N ATOM 0 H ASN A 78 3.420 9.932 -14.733 1.00 54.31 H new ATOM 0 HA ASN A 78 4.952 12.387 -14.340 1.00 72.05 H new ATOM 0 HB2 ASN A 78 2.396 12.225 -14.469 1.00 15.11 H new ATOM 0 HB3 ASN A 78 2.447 11.413 -12.917 1.00 15.11 H new ATOM 0 HD21 ASN A 78 3.042 14.322 -10.991 1.00 2.34 H new ATOM 0 HD22 ASN A 78 2.978 12.556 -11.026 1.00 2.34 H new ATOM 1228 N ALA A 79 4.927 9.890 -12.242 1.00 71.25 N ATOM 1229 CA ALA A 79 5.551 9.351 -11.041 1.00 4.25 C ATOM 1230 C ALA A 79 5.208 7.877 -10.857 1.00 64.32 C ATOM 1231 O ALA A 79 4.433 7.500 -9.979 1.00 34.43 O ATOM 1232 CB ALA A 79 5.122 10.151 -9.819 1.00 62.32 C ATOM 0 H ALA A 79 4.384 9.211 -12.775 1.00 71.25 H new ATOM 0 HA ALA A 79 6.632 9.433 -11.155 1.00 4.25 H new ATOM 0 HB1 ALA A 79 5.596 9.737 -8.929 1.00 62.32 H new ATOM 0 HB2 ALA A 79 5.424 11.191 -9.941 1.00 62.32 H new ATOM 0 HB3 ALA A 79 4.039 10.098 -9.711 1.00 62.32 H new ATOM 1238 N PRO A 80 5.798 7.021 -11.705 1.00 42.34 N ATOM 1239 CA PRO A 80 5.570 5.574 -11.657 1.00 14.14 C ATOM 1240 C PRO A 80 6.190 4.931 -10.421 1.00 64.54 C ATOM 1241 O PRO A 80 5.738 3.882 -9.961 1.00 53.23 O ATOM 1242 CB PRO A 80 6.254 5.064 -12.927 1.00 25.22 C ATOM 1243 CG PRO A 80 7.298 6.083 -13.230 1.00 23.41 C ATOM 1244 CD PRO A 80 6.734 7.401 -12.777 1.00 61.20 C ATOM 0 HA PRO A 80 4.509 5.330 -11.602 1.00 14.14 H new ATOM 0 HB2 PRO A 80 6.695 4.080 -12.771 1.00 25.22 H new ATOM 0 HB3 PRO A 80 5.544 4.969 -13.748 1.00 25.22 H new ATOM 0 HG2 PRO A 80 8.228 5.856 -12.708 1.00 23.41 H new ATOM 0 HG3 PRO A 80 7.527 6.102 -14.295 1.00 23.41 H new ATOM 0 HD2 PRO A 80 7.515 8.068 -12.411 1.00 61.20 H new ATOM 0 HD3 PRO A 80 6.225 7.921 -13.589 1.00 61.20 H new ATOM 1252 N VAL A 81 7.230 5.565 -9.888 1.00 54.11 N ATOM 1253 CA VAL A 81 7.912 5.055 -8.705 1.00 33.13 C ATOM 1254 C VAL A 81 6.919 4.735 -7.593 1.00 54.21 C ATOM 1255 O VAL A 81 7.188 3.906 -6.724 1.00 71.51 O ATOM 1256 CB VAL A 81 8.949 6.063 -8.177 1.00 5.23 C ATOM 1257 CG1 VAL A 81 8.294 7.406 -7.895 1.00 12.42 C ATOM 1258 CG2 VAL A 81 9.632 5.521 -6.930 1.00 15.34 C ATOM 0 H VAL A 81 7.618 6.433 -10.257 1.00 54.11 H new ATOM 0 HA VAL A 81 8.424 4.141 -9.005 1.00 33.13 H new ATOM 0 HB VAL A 81 9.709 6.211 -8.944 1.00 5.23 H new ATOM 0 HG11 VAL A 81 9.043 8.105 -7.523 1.00 12.42 H new ATOM 0 HG12 VAL A 81 7.857 7.798 -8.814 1.00 12.42 H new ATOM 0 HG13 VAL A 81 7.512 7.279 -7.146 1.00 12.42 H new ATOM 0 HG21 VAL A 81 10.362 6.246 -6.570 1.00 15.34 H new ATOM 0 HG22 VAL A 81 8.886 5.342 -6.155 1.00 15.34 H new ATOM 0 HG23 VAL A 81 10.138 4.586 -7.170 1.00 15.34 H new ATOM 1268 N LYS A 82 5.768 5.399 -7.626 1.00 70.34 N ATOM 1269 CA LYS A 82 4.732 5.185 -6.623 1.00 53.21 C ATOM 1270 C LYS A 82 3.933 3.922 -6.926 1.00 60.53 C ATOM 1271 O LYS A 82 3.958 2.947 -6.174 1.00 51.12 O ATOM 1272 CB LYS A 82 3.793 6.393 -6.564 1.00 63.44 C ATOM 1273 CG LYS A 82 3.988 7.255 -5.329 1.00 61.22 C ATOM 1274 CD LYS A 82 5.015 8.348 -5.569 1.00 4.41 C ATOM 1275 CE LYS A 82 5.000 9.382 -4.453 1.00 21.20 C ATOM 1276 NZ LYS A 82 6.288 9.411 -3.706 1.00 63.03 N ATOM 0 H LYS A 82 5.530 6.090 -8.337 1.00 70.34 H new ATOM 0 HA LYS A 82 5.219 5.062 -5.655 1.00 53.21 H new ATOM 0 HB2 LYS A 82 3.947 7.006 -7.452 1.00 63.44 H new ATOM 0 HB3 LYS A 82 2.761 6.042 -6.593 1.00 63.44 H new ATOM 0 HG2 LYS A 82 3.037 7.704 -5.044 1.00 61.22 H new ATOM 0 HG3 LYS A 82 4.308 6.630 -4.495 1.00 61.22 H new ATOM 0 HD2 LYS A 82 6.008 7.905 -5.643 1.00 4.41 H new ATOM 0 HD3 LYS A 82 4.812 8.837 -6.522 1.00 4.41 H new ATOM 0 HE2 LYS A 82 4.802 10.368 -4.874 1.00 21.20 H new ATOM 0 HE3 LYS A 82 4.185 9.160 -3.764 1.00 21.20 H new ATOM 0 HZ1 LYS A 82 6.237 10.128 -2.954 1.00 63.03 H new ATOM 0 HZ2 LYS A 82 6.465 8.478 -3.283 1.00 63.03 H new ATOM 0 HZ3 LYS A 82 7.063 9.648 -4.359 1.00 63.03 H new ATOM 1290 N PRO A 83 3.208 3.935 -8.055 1.00 0.13 N ATOM 1291 CA PRO A 83 2.390 2.797 -8.484 1.00 21.22 C ATOM 1292 C PRO A 83 3.237 1.609 -8.926 1.00 60.53 C ATOM 1293 O PRO A 83 3.056 0.491 -8.443 1.00 74.22 O ATOM 1294 CB PRO A 83 1.595 3.357 -9.666 1.00 64.22 C ATOM 1295 CG PRO A 83 2.433 4.471 -10.192 1.00 10.01 C ATOM 1296 CD PRO A 83 3.131 5.063 -8.999 1.00 24.42 C ATOM 0 HA PRO A 83 1.766 2.416 -7.676 1.00 21.22 H new ATOM 0 HB2 PRO A 83 1.427 2.595 -10.427 1.00 64.22 H new ATOM 0 HB3 PRO A 83 0.615 3.714 -9.350 1.00 64.22 H new ATOM 0 HG2 PRO A 83 3.153 4.105 -10.924 1.00 10.01 H new ATOM 0 HG3 PRO A 83 1.819 5.218 -10.695 1.00 10.01 H new ATOM 0 HD2 PRO A 83 4.121 5.439 -9.258 1.00 24.42 H new ATOM 0 HD3 PRO A 83 2.572 5.900 -8.581 1.00 24.42 H new ATOM 1304 N ARG A 84 4.162 1.858 -9.847 1.00 64.51 N ATOM 1305 CA ARG A 84 5.037 0.807 -10.355 1.00 11.40 C ATOM 1306 C ARG A 84 5.628 -0.009 -9.209 1.00 73.45 C ATOM 1307 O ARG A 84 5.871 -1.207 -9.350 1.00 23.53 O ATOM 1308 CB ARG A 84 6.162 1.413 -11.196 1.00 54.44 C ATOM 1309 CG ARG A 84 6.974 0.381 -11.961 1.00 4.12 C ATOM 1310 CD ARG A 84 8.232 0.993 -12.558 1.00 11.11 C ATOM 1311 NE ARG A 84 9.202 -0.025 -12.951 1.00 45.20 N ATOM 1312 CZ ARG A 84 10.207 0.203 -13.790 1.00 30.40 C ATOM 1313 NH1 ARG A 84 10.372 1.406 -14.321 1.00 2.33 N ATOM 1314 NH2 ARG A 84 11.049 -0.775 -14.099 1.00 61.22 N ATOM 0 H ARG A 84 4.325 2.778 -10.257 1.00 64.51 H new ATOM 0 HA ARG A 84 4.441 0.144 -10.982 1.00 11.40 H new ATOM 0 HB2 ARG A 84 5.733 2.123 -11.903 1.00 54.44 H new ATOM 0 HB3 ARG A 84 6.829 1.977 -10.543 1.00 54.44 H new ATOM 0 HG2 ARG A 84 7.247 -0.436 -11.294 1.00 4.12 H new ATOM 0 HG3 ARG A 84 6.364 -0.047 -12.756 1.00 4.12 H new ATOM 0 HD2 ARG A 84 7.965 1.594 -13.427 1.00 11.11 H new ATOM 0 HD3 ARG A 84 8.687 1.666 -11.832 1.00 11.11 H new ATOM 0 HE ARG A 84 9.103 -0.962 -12.560 1.00 45.20 H new ATOM 0 HH11 ARG A 84 9.727 2.160 -14.086 1.00 2.33 H new ATOM 0 HH12 ARG A 84 11.144 1.578 -14.965 1.00 2.33 H new ATOM 0 HH21 ARG A 84 10.925 -1.702 -13.692 1.00 61.22 H new ATOM 0 HH22 ARG A 84 11.820 -0.600 -14.743 1.00 61.22 H new ATOM 1328 N MET A 85 5.856 0.648 -8.077 1.00 71.11 N ATOM 1329 CA MET A 85 6.417 -0.018 -6.907 1.00 45.24 C ATOM 1330 C MET A 85 5.314 -0.618 -6.042 1.00 3.15 C ATOM 1331 O MET A 85 5.323 -1.813 -5.746 1.00 63.51 O ATOM 1332 CB MET A 85 7.249 0.967 -6.084 1.00 3.31 C ATOM 1333 CG MET A 85 8.550 1.376 -6.757 1.00 32.52 C ATOM 1334 SD MET A 85 9.805 0.083 -6.685 1.00 75.43 S ATOM 1335 CE MET A 85 11.099 0.918 -5.772 1.00 65.32 C ATOM 0 H MET A 85 5.661 1.640 -7.945 1.00 71.11 H new ATOM 0 HA MET A 85 7.062 -0.826 -7.253 1.00 45.24 H new ATOM 0 HB2 MET A 85 6.654 1.859 -5.890 1.00 3.31 H new ATOM 0 HB3 MET A 85 7.475 0.519 -5.117 1.00 3.31 H new ATOM 0 HG2 MET A 85 8.352 1.627 -7.799 1.00 32.52 H new ATOM 0 HG3 MET A 85 8.934 2.277 -6.279 1.00 32.52 H new ATOM 0 HE1 MET A 85 11.947 0.245 -5.646 1.00 65.32 H new ATOM 0 HE2 MET A 85 11.417 1.804 -6.321 1.00 65.32 H new ATOM 0 HE3 MET A 85 10.721 1.213 -4.793 1.00 65.32 H new ATOM 1345 N THR A 86 4.364 0.219 -5.637 1.00 3.35 N ATOM 1346 CA THR A 86 3.255 -0.228 -4.803 1.00 65.24 C ATOM 1347 C THR A 86 2.515 -1.392 -5.453 1.00 13.44 C ATOM 1348 O THR A 86 2.460 -2.491 -4.901 1.00 2.02 O ATOM 1349 CB THR A 86 2.258 0.914 -4.534 1.00 42.42 C ATOM 1350 OG1 THR A 86 2.942 2.038 -3.967 1.00 74.24 O ATOM 1351 CG2 THR A 86 1.154 0.458 -3.592 1.00 50.25 C ATOM 0 H THR A 86 4.340 1.211 -5.873 1.00 3.35 H new ATOM 0 HA THR A 86 3.683 -0.556 -3.856 1.00 65.24 H new ATOM 0 HB THR A 86 1.807 1.204 -5.483 1.00 42.42 H new ATOM 0 HG1 THR A 86 3.218 2.648 -4.683 1.00 74.24 H new ATOM 0 HG21 THR A 86 0.462 1.282 -3.417 1.00 50.25 H new ATOM 0 HG22 THR A 86 0.617 -0.379 -4.039 1.00 50.25 H new ATOM 0 HG23 THR A 86 1.591 0.144 -2.644 1.00 50.25 H new ATOM 1359 N TYR A 87 1.946 -1.143 -6.627 1.00 62.12 N ATOM 1360 CA TYR A 87 1.207 -2.170 -7.351 1.00 33.40 C ATOM 1361 C TYR A 87 2.043 -3.437 -7.504 1.00 74.42 C ATOM 1362 O TYR A 87 1.505 -4.538 -7.620 1.00 65.51 O ATOM 1363 CB TYR A 87 0.788 -1.652 -8.728 1.00 63.41 C ATOM 1364 CG TYR A 87 0.349 -2.744 -9.678 1.00 4.11 C ATOM 1365 CD1 TYR A 87 -0.647 -3.643 -9.321 1.00 34.41 C ATOM 1366 CD2 TYR A 87 0.931 -2.875 -10.933 1.00 2.11 C ATOM 1367 CE1 TYR A 87 -1.051 -4.643 -10.185 1.00 42.43 C ATOM 1368 CE2 TYR A 87 0.533 -3.870 -11.804 1.00 61.15 C ATOM 1369 CZ TYR A 87 -0.458 -4.752 -11.426 1.00 2.31 C ATOM 1370 OH TYR A 87 -0.858 -5.745 -12.290 1.00 41.24 O ATOM 0 H TYR A 87 1.982 -0.239 -7.098 1.00 62.12 H new ATOM 0 HA TYR A 87 0.314 -2.413 -6.775 1.00 33.40 H new ATOM 0 HB2 TYR A 87 -0.027 -0.939 -8.606 1.00 63.41 H new ATOM 0 HB3 TYR A 87 1.622 -1.109 -9.172 1.00 63.41 H new ATOM 0 HD1 TYR A 87 -1.114 -3.559 -8.351 1.00 34.41 H new ATOM 0 HD2 TYR A 87 1.708 -2.187 -11.232 1.00 2.11 H new ATOM 0 HE1 TYR A 87 -1.826 -5.335 -9.891 1.00 42.43 H new ATOM 0 HE2 TYR A 87 0.995 -3.957 -12.776 1.00 61.15 H new ATOM 0 HH TYR A 87 -1.482 -6.346 -11.832 1.00 41.24 H new ATOM 1380 N ALA A 88 3.361 -3.272 -7.503 1.00 63.11 N ATOM 1381 CA ALA A 88 4.273 -4.401 -7.639 1.00 72.41 C ATOM 1382 C ALA A 88 4.101 -5.387 -6.489 1.00 33.52 C ATOM 1383 O ALA A 88 3.766 -6.553 -6.702 1.00 41.33 O ATOM 1384 CB ALA A 88 5.712 -3.913 -7.707 1.00 1.41 C ATOM 0 H ALA A 88 3.822 -2.367 -7.409 1.00 63.11 H new ATOM 0 HA ALA A 88 4.033 -4.920 -8.567 1.00 72.41 H new ATOM 0 HB1 ALA A 88 6.381 -4.767 -7.808 1.00 1.41 H new ATOM 0 HB2 ALA A 88 5.832 -3.254 -8.567 1.00 1.41 H new ATOM 0 HB3 ALA A 88 5.955 -3.368 -6.795 1.00 1.41 H new ATOM 1390 N SER A 89 4.332 -4.913 -5.269 1.00 1.11 N ATOM 1391 CA SER A 89 4.207 -5.755 -4.085 1.00 11.32 C ATOM 1392 C SER A 89 2.764 -5.785 -3.590 1.00 0.22 C ATOM 1393 O SER A 89 2.463 -6.381 -2.555 1.00 43.45 O ATOM 1394 CB SER A 89 5.129 -5.249 -2.974 1.00 13.44 C ATOM 1395 OG SER A 89 5.290 -6.226 -1.960 1.00 15.31 O ATOM 0 H SER A 89 4.607 -3.950 -5.075 1.00 1.11 H new ATOM 0 HA SER A 89 4.501 -6.769 -4.357 1.00 11.32 H new ATOM 0 HB2 SER A 89 6.102 -4.992 -3.393 1.00 13.44 H new ATOM 0 HB3 SER A 89 4.717 -4.337 -2.542 1.00 13.44 H new ATOM 0 HG SER A 89 4.443 -6.701 -1.826 1.00 15.31 H new ATOM 1401 N SER A 90 1.875 -5.138 -4.337 1.00 2.53 N ATOM 1402 CA SER A 90 0.464 -5.086 -3.973 1.00 60.00 C ATOM 1403 C SER A 90 -0.357 -6.028 -4.849 1.00 13.44 C ATOM 1404 O SER A 90 -1.406 -6.522 -4.435 1.00 73.34 O ATOM 1405 CB SER A 90 -0.066 -3.657 -4.104 1.00 13.00 C ATOM 1406 OG SER A 90 -1.333 -3.524 -3.484 1.00 35.45 O ATOM 0 H SER A 90 2.107 -4.643 -5.198 1.00 2.53 H new ATOM 0 HA SER A 90 0.369 -5.407 -2.936 1.00 60.00 H new ATOM 0 HB2 SER A 90 0.639 -2.961 -3.650 1.00 13.00 H new ATOM 0 HB3 SER A 90 -0.144 -3.390 -5.158 1.00 13.00 H new ATOM 0 HG SER A 90 -1.506 -2.578 -3.294 1.00 35.45 H new ATOM 1412 N LYS A 91 0.128 -6.271 -6.061 1.00 74.14 N ATOM 1413 CA LYS A 91 -0.559 -7.154 -6.997 1.00 44.13 C ATOM 1414 C LYS A 91 -0.922 -8.477 -6.331 1.00 0.24 C ATOM 1415 O LYS A 91 -1.936 -9.091 -6.661 1.00 73.32 O ATOM 1416 CB LYS A 91 0.320 -7.413 -8.223 1.00 53.25 C ATOM 1417 CG LYS A 91 1.457 -8.386 -7.963 1.00 13.52 C ATOM 1418 CD LYS A 91 2.642 -8.114 -8.873 1.00 64.25 C ATOM 1419 CE LYS A 91 3.883 -8.864 -8.412 1.00 11.44 C ATOM 1420 NZ LYS A 91 4.020 -10.181 -9.091 1.00 60.44 N ATOM 0 H LYS A 91 0.994 -5.869 -6.419 1.00 74.14 H new ATOM 0 HA LYS A 91 -1.479 -6.662 -7.313 1.00 44.13 H new ATOM 0 HB2 LYS A 91 -0.302 -7.801 -9.030 1.00 53.25 H new ATOM 0 HB3 LYS A 91 0.735 -6.466 -8.568 1.00 53.25 H new ATOM 0 HG2 LYS A 91 1.771 -8.310 -6.922 1.00 13.52 H new ATOM 0 HG3 LYS A 91 1.106 -9.407 -8.116 1.00 13.52 H new ATOM 0 HD2 LYS A 91 2.395 -8.410 -9.892 1.00 64.25 H new ATOM 0 HD3 LYS A 91 2.849 -7.044 -8.893 1.00 64.25 H new ATOM 0 HE2 LYS A 91 4.768 -8.259 -8.611 1.00 11.44 H new ATOM 0 HE3 LYS A 91 3.836 -9.015 -7.333 1.00 11.44 H new ATOM 0 HZ1 LYS A 91 4.877 -10.660 -8.749 1.00 60.44 H new ATOM 0 HZ2 LYS A 91 3.188 -10.768 -8.880 1.00 60.44 H new ATOM 0 HZ3 LYS A 91 4.090 -10.036 -10.118 1.00 60.44 H new ATOM 1434 N ASP A 92 -0.089 -8.909 -5.390 1.00 41.43 N ATOM 1435 CA ASP A 92 -0.324 -10.158 -4.675 1.00 51.42 C ATOM 1436 C ASP A 92 -1.740 -10.201 -4.109 1.00 20.20 C ATOM 1437 O ASP A 92 -2.332 -11.271 -3.974 1.00 32.42 O ATOM 1438 CB ASP A 92 0.695 -10.324 -3.547 1.00 1.21 C ATOM 1439 CG ASP A 92 1.062 -11.775 -3.307 1.00 74.21 C ATOM 1440 OD1 ASP A 92 1.174 -12.530 -4.296 1.00 22.33 O ATOM 1441 OD2 ASP A 92 1.237 -12.156 -2.131 1.00 11.10 O ATOM 0 H ASP A 92 0.755 -8.412 -5.105 1.00 41.43 H new ATOM 0 HA ASP A 92 -0.209 -10.980 -5.381 1.00 51.42 H new ATOM 0 HB2 ASP A 92 1.596 -9.760 -3.789 1.00 1.21 H new ATOM 0 HB3 ASP A 92 0.289 -9.898 -2.629 1.00 1.21 H new ATOM 1446 N ALA A 93 -2.276 -9.031 -3.779 1.00 10.23 N ATOM 1447 CA ALA A 93 -3.622 -8.935 -3.228 1.00 32.30 C ATOM 1448 C ALA A 93 -4.648 -8.680 -4.327 1.00 31.30 C ATOM 1449 O ALA A 93 -5.625 -9.419 -4.462 1.00 43.24 O ATOM 1450 CB ALA A 93 -3.686 -7.836 -2.178 1.00 52.11 C ATOM 0 H ALA A 93 -1.798 -8.136 -3.884 1.00 10.23 H new ATOM 0 HA ALA A 93 -3.863 -9.887 -2.756 1.00 32.30 H new ATOM 0 HB1 ALA A 93 -4.697 -7.776 -1.775 1.00 52.11 H new ATOM 0 HB2 ALA A 93 -2.987 -8.061 -1.372 1.00 52.11 H new ATOM 0 HB3 ALA A 93 -3.419 -6.882 -2.633 1.00 52.11 H new ATOM 1456 N LEU A 94 -4.421 -7.631 -5.109 1.00 55.13 N ATOM 1457 CA LEU A 94 -5.327 -7.278 -6.197 1.00 51.21 C ATOM 1458 C LEU A 94 -5.684 -8.506 -7.029 1.00 43.50 C ATOM 1459 O LEU A 94 -6.858 -8.838 -7.192 1.00 74.34 O ATOM 1460 CB LEU A 94 -4.692 -6.210 -7.089 1.00 51.14 C ATOM 1461 CG LEU A 94 -4.571 -4.812 -6.481 1.00 25.31 C ATOM 1462 CD1 LEU A 94 -5.825 -4.461 -5.696 1.00 23.12 C ATOM 1463 CD2 LEU A 94 -3.339 -4.723 -5.591 1.00 35.42 C ATOM 0 H LEU A 94 -3.618 -7.010 -5.011 1.00 55.13 H new ATOM 0 HA LEU A 94 -6.243 -6.880 -5.760 1.00 51.21 H new ATOM 0 HB2 LEU A 94 -3.696 -6.548 -7.373 1.00 51.14 H new ATOM 0 HB3 LEU A 94 -5.277 -6.136 -8.006 1.00 51.14 H new ATOM 0 HG LEU A 94 -4.462 -4.092 -7.292 1.00 25.31 H new ATOM 0 HD11 LEU A 94 -5.721 -3.463 -5.271 1.00 23.12 H new ATOM 0 HD12 LEU A 94 -6.689 -4.484 -6.361 1.00 23.12 H new ATOM 0 HD13 LEU A 94 -5.966 -5.185 -4.893 1.00 23.12 H new ATOM 0 HD21 LEU A 94 -3.268 -3.722 -5.167 1.00 35.42 H new ATOM 0 HD22 LEU A 94 -3.418 -5.454 -4.786 1.00 35.42 H new ATOM 0 HD23 LEU A 94 -2.447 -4.930 -6.182 1.00 35.42 H new ATOM 1475 N LEU A 95 -4.663 -9.177 -7.551 1.00 51.52 N ATOM 1476 CA LEU A 95 -4.868 -10.370 -8.365 1.00 11.11 C ATOM 1477 C LEU A 95 -5.576 -11.459 -7.565 1.00 53.14 C ATOM 1478 O LEU A 95 -6.319 -12.269 -8.121 1.00 12.42 O ATOM 1479 CB LEU A 95 -3.528 -10.893 -8.885 1.00 51.00 C ATOM 1480 CG LEU A 95 -3.127 -10.433 -10.287 1.00 62.42 C ATOM 1481 CD1 LEU A 95 -1.613 -10.343 -10.406 1.00 54.25 C ATOM 1482 CD2 LEU A 95 -3.691 -11.377 -11.339 1.00 51.14 C ATOM 0 H LEU A 95 -3.685 -8.915 -7.425 1.00 51.52 H new ATOM 0 HA LEU A 95 -5.498 -10.099 -9.212 1.00 11.11 H new ATOM 0 HB2 LEU A 95 -2.747 -10.590 -8.188 1.00 51.00 H new ATOM 0 HB3 LEU A 95 -3.558 -11.983 -8.876 1.00 51.00 H new ATOM 0 HG LEU A 95 -3.544 -9.440 -10.457 1.00 62.42 H new ATOM 0 HD11 LEU A 95 -1.346 -10.014 -11.410 1.00 54.25 H new ATOM 0 HD12 LEU A 95 -1.233 -9.628 -9.677 1.00 54.25 H new ATOM 0 HD13 LEU A 95 -1.174 -11.323 -10.216 1.00 54.25 H new ATOM 0 HD21 LEU A 95 -3.396 -11.035 -12.331 1.00 51.14 H new ATOM 0 HD22 LEU A 95 -3.303 -12.382 -11.172 1.00 51.14 H new ATOM 0 HD23 LEU A 95 -4.779 -11.392 -11.269 1.00 51.14 H new ATOM 1494 N LYS A 96 -5.343 -11.472 -6.257 1.00 51.24 N ATOM 1495 CA LYS A 96 -5.961 -12.458 -5.379 1.00 63.43 C ATOM 1496 C LYS A 96 -7.383 -12.046 -5.013 1.00 70.53 C ATOM 1497 O LYS A 96 -8.140 -12.831 -4.442 1.00 74.42 O ATOM 1498 CB LYS A 96 -5.126 -12.634 -4.108 1.00 52.44 C ATOM 1499 CG LYS A 96 -4.124 -13.772 -4.191 1.00 43.31 C ATOM 1500 CD LYS A 96 -3.211 -13.624 -5.397 1.00 71.41 C ATOM 1501 CE LYS A 96 -3.725 -14.421 -6.586 1.00 75.50 C ATOM 1502 NZ LYS A 96 -2.622 -14.830 -7.499 1.00 32.11 N ATOM 0 H LYS A 96 -4.730 -10.810 -5.781 1.00 51.24 H new ATOM 0 HA LYS A 96 -6.003 -13.407 -5.913 1.00 63.43 H new ATOM 0 HB2 LYS A 96 -4.593 -11.706 -3.902 1.00 52.44 H new ATOM 0 HB3 LYS A 96 -5.795 -12.811 -3.266 1.00 52.44 H new ATOM 0 HG2 LYS A 96 -3.525 -13.798 -3.281 1.00 43.31 H new ATOM 0 HG3 LYS A 96 -4.655 -14.722 -4.250 1.00 43.31 H new ATOM 0 HD2 LYS A 96 -3.134 -12.571 -5.669 1.00 71.41 H new ATOM 0 HD3 LYS A 96 -2.207 -13.961 -5.138 1.00 71.41 H new ATOM 0 HE2 LYS A 96 -4.249 -15.308 -6.229 1.00 75.50 H new ATOM 0 HE3 LYS A 96 -4.450 -13.823 -7.138 1.00 75.50 H new ATOM 0 HZ1 LYS A 96 -3.014 -15.371 -8.296 1.00 32.11 H new ATOM 0 HZ2 LYS A 96 -2.138 -13.983 -7.860 1.00 32.11 H new ATOM 0 HZ3 LYS A 96 -1.943 -15.422 -6.980 1.00 32.11 H new ATOM 1516 N LYS A 97 -7.741 -10.811 -5.347 1.00 24.10 N ATOM 1517 CA LYS A 97 -9.073 -10.295 -5.056 1.00 40.14 C ATOM 1518 C LYS A 97 -9.970 -10.380 -6.287 1.00 61.33 C ATOM 1519 O LYS A 97 -10.930 -9.621 -6.422 1.00 50.43 O ATOM 1520 CB LYS A 97 -8.987 -8.845 -4.575 1.00 3.13 C ATOM 1521 CG LYS A 97 -8.403 -8.701 -3.180 1.00 31.12 C ATOM 1522 CD LYS A 97 -9.234 -9.446 -2.148 1.00 43.03 C ATOM 1523 CE LYS A 97 -8.442 -10.574 -1.504 1.00 1.51 C ATOM 1524 NZ LYS A 97 -8.858 -10.808 -0.093 1.00 50.14 N ATOM 0 H LYS A 97 -7.127 -10.148 -5.820 1.00 24.10 H new ATOM 0 HA LYS A 97 -9.508 -10.908 -4.267 1.00 40.14 H new ATOM 0 HB2 LYS A 97 -8.378 -8.274 -5.276 1.00 3.13 H new ATOM 0 HB3 LYS A 97 -9.985 -8.406 -4.589 1.00 3.13 H new ATOM 0 HG2 LYS A 97 -7.382 -9.083 -3.171 1.00 31.12 H new ATOM 0 HG3 LYS A 97 -8.351 -7.645 -2.913 1.00 31.12 H new ATOM 0 HD2 LYS A 97 -9.570 -8.751 -1.379 1.00 43.03 H new ATOM 0 HD3 LYS A 97 -10.127 -9.852 -2.623 1.00 43.03 H new ATOM 0 HE2 LYS A 97 -8.580 -11.489 -2.080 1.00 1.51 H new ATOM 0 HE3 LYS A 97 -7.379 -10.335 -1.534 1.00 1.51 H new ATOM 0 HZ1 LYS A 97 -8.128 -11.364 0.397 1.00 50.14 H new ATOM 0 HZ2 LYS A 97 -8.979 -9.895 0.389 1.00 50.14 H new ATOM 0 HZ3 LYS A 97 -9.758 -11.330 -0.078 1.00 50.14 H new ATOM 1538 N LEU A 98 -9.652 -11.310 -7.182 1.00 12.33 N ATOM 1539 CA LEU A 98 -10.431 -11.496 -8.401 1.00 43.54 C ATOM 1540 C LEU A 98 -10.630 -12.978 -8.700 1.00 22.13 C ATOM 1541 O LEU A 98 -10.172 -13.840 -7.949 1.00 2.42 O ATOM 1542 CB LEU A 98 -9.736 -10.815 -9.582 1.00 1.10 C ATOM 1543 CG LEU A 98 -9.166 -9.422 -9.313 1.00 2.20 C ATOM 1544 CD1 LEU A 98 -8.120 -9.062 -10.357 1.00 24.44 C ATOM 1545 CD2 LEU A 98 -10.279 -8.385 -9.292 1.00 53.33 C ATOM 0 H LEU A 98 -8.861 -11.946 -7.086 1.00 12.33 H new ATOM 0 HA LEU A 98 -11.410 -11.040 -8.250 1.00 43.54 H new ATOM 0 HB2 LEU A 98 -8.924 -11.459 -9.920 1.00 1.10 H new ATOM 0 HB3 LEU A 98 -10.448 -10.742 -10.404 1.00 1.10 H new ATOM 0 HG LEU A 98 -8.686 -9.430 -8.335 1.00 2.20 H new ATOM 0 HD11 LEU A 98 -7.726 -8.067 -10.149 1.00 24.44 H new ATOM 0 HD12 LEU A 98 -7.308 -9.788 -10.324 1.00 24.44 H new ATOM 0 HD13 LEU A 98 -8.576 -9.072 -11.347 1.00 24.44 H new ATOM 0 HD21 LEU A 98 -9.855 -7.400 -9.099 1.00 53.33 H new ATOM 0 HD22 LEU A 98 -10.788 -8.379 -10.256 1.00 53.33 H new ATOM 0 HD23 LEU A 98 -10.992 -8.633 -8.506 1.00 53.33 H new ATOM 1557 N ASP A 99 -11.314 -13.268 -9.801 1.00 44.11 N ATOM 1558 CA ASP A 99 -11.571 -14.647 -10.201 1.00 45.50 C ATOM 1559 C ASP A 99 -11.244 -14.854 -11.677 1.00 22.14 C ATOM 1560 O ASP A 99 -12.008 -14.455 -12.554 1.00 72.32 O ATOM 1561 CB ASP A 99 -13.031 -15.014 -9.933 1.00 24.35 C ATOM 1562 CG ASP A 99 -13.285 -16.504 -10.057 1.00 2.35 C ATOM 1563 OD1 ASP A 99 -12.303 -17.275 -10.055 1.00 42.23 O ATOM 1564 OD2 ASP A 99 -14.466 -16.898 -10.156 1.00 23.23 O ATOM 0 H ASP A 99 -11.701 -12.567 -10.433 1.00 44.11 H new ATOM 0 HA ASP A 99 -10.927 -15.298 -9.610 1.00 45.50 H new ATOM 0 HB2 ASP A 99 -13.308 -14.683 -8.932 1.00 24.35 H new ATOM 0 HB3 ASP A 99 -13.672 -14.479 -10.634 1.00 24.35 H new ATOM 1569 N GLY A 100 -10.101 -15.481 -11.942 1.00 55.33 N ATOM 1570 CA GLY A 100 -9.693 -15.729 -13.313 1.00 30.15 C ATOM 1571 C GLY A 100 -8.511 -14.877 -13.729 1.00 4.14 C ATOM 1572 O GLY A 100 -7.949 -15.067 -14.807 1.00 53.52 O ATOM 0 H GLY A 100 -9.451 -15.821 -11.233 1.00 55.33 H new ATOM 0 HA2 GLY A 100 -9.436 -16.782 -13.428 1.00 30.15 H new ATOM 0 HA3 GLY A 100 -10.532 -15.531 -13.980 1.00 30.15 H new ATOM 1576 N ALA A 101 -8.132 -13.934 -12.872 1.00 11.01 N ATOM 1577 CA ALA A 101 -7.009 -13.050 -13.156 1.00 42.23 C ATOM 1578 C ALA A 101 -5.710 -13.838 -13.291 1.00 12.22 C ATOM 1579 O ALA A 101 -5.033 -14.114 -12.300 1.00 10.42 O ATOM 1580 CB ALA A 101 -6.878 -11.995 -12.067 1.00 72.41 C ATOM 0 H ALA A 101 -8.587 -13.763 -11.975 1.00 11.01 H new ATOM 0 HA ALA A 101 -7.202 -12.553 -14.107 1.00 42.23 H new ATOM 0 HB1 ALA A 101 -6.035 -11.342 -12.293 1.00 72.41 H new ATOM 0 HB2 ALA A 101 -7.793 -11.404 -12.021 1.00 72.41 H new ATOM 0 HB3 ALA A 101 -6.712 -12.482 -11.106 1.00 72.41 H new ATOM 1586 N THR A 102 -5.367 -14.199 -14.524 1.00 35.15 N ATOM 1587 CA THR A 102 -4.151 -14.957 -14.787 1.00 71.24 C ATOM 1588 C THR A 102 -2.949 -14.032 -14.940 1.00 20.31 C ATOM 1589 O THR A 102 -3.034 -12.837 -14.660 1.00 53.13 O ATOM 1590 CB THR A 102 -4.289 -15.815 -16.059 1.00 63.41 C ATOM 1591 OG1 THR A 102 -4.323 -14.973 -17.217 1.00 21.51 O ATOM 1592 CG2 THR A 102 -5.550 -16.664 -16.005 1.00 52.14 C ATOM 0 H THR A 102 -5.915 -13.978 -15.356 1.00 35.15 H new ATOM 0 HA THR A 102 -3.995 -15.612 -13.930 1.00 71.24 H new ATOM 0 HB THR A 102 -3.426 -16.478 -16.119 1.00 63.41 H new ATOM 0 HG1 THR A 102 -4.409 -15.526 -18.021 1.00 21.51 H new ATOM 0 HG21 THR A 102 -5.626 -17.261 -16.914 1.00 52.14 H new ATOM 0 HG22 THR A 102 -5.507 -17.325 -15.139 1.00 52.14 H new ATOM 0 HG23 THR A 102 -6.422 -16.015 -15.923 1.00 52.14 H new ATOM 1600 N ALA A 103 -1.830 -14.593 -15.386 1.00 24.04 N ATOM 1601 CA ALA A 103 -0.611 -13.817 -15.578 1.00 24.31 C ATOM 1602 C ALA A 103 -0.555 -13.221 -16.980 1.00 62.13 C ATOM 1603 O ALA A 103 0.498 -12.772 -17.433 1.00 41.14 O ATOM 1604 CB ALA A 103 0.613 -14.685 -15.322 1.00 11.20 C ATOM 0 H ALA A 103 -1.742 -15.582 -15.621 1.00 24.04 H new ATOM 0 HA ALA A 103 -0.616 -12.995 -14.862 1.00 24.31 H new ATOM 0 HB1 ALA A 103 1.516 -14.093 -15.469 1.00 11.20 H new ATOM 0 HB2 ALA A 103 0.587 -15.058 -14.298 1.00 11.20 H new ATOM 0 HB3 ALA A 103 0.614 -15.526 -16.015 1.00 11.20 H new ATOM 1610 N VAL A 104 -1.695 -13.220 -17.664 1.00 22.50 N ATOM 1611 CA VAL A 104 -1.776 -12.679 -19.015 1.00 44.03 C ATOM 1612 C VAL A 104 -1.918 -11.161 -18.992 1.00 25.35 C ATOM 1613 O VAL A 104 -2.118 -10.530 -20.029 1.00 23.12 O ATOM 1614 CB VAL A 104 -2.961 -13.282 -19.792 1.00 30.42 C ATOM 1615 CG1 VAL A 104 -4.279 -12.734 -19.266 1.00 3.20 C ATOM 1616 CG2 VAL A 104 -2.816 -13.009 -21.281 1.00 55.32 C ATOM 0 H VAL A 104 -2.575 -13.588 -17.304 1.00 22.50 H new ATOM 0 HA VAL A 104 -0.847 -12.947 -19.518 1.00 44.03 H new ATOM 0 HB VAL A 104 -2.959 -14.362 -19.643 1.00 30.42 H new ATOM 0 HG11 VAL A 104 -5.105 -13.171 -19.827 1.00 3.20 H new ATOM 0 HG12 VAL A 104 -4.383 -12.987 -18.211 1.00 3.20 H new ATOM 0 HG13 VAL A 104 -4.295 -11.650 -19.383 1.00 3.20 H new ATOM 0 HG21 VAL A 104 -3.662 -13.442 -21.814 1.00 55.32 H new ATOM 0 HG22 VAL A 104 -2.791 -11.933 -21.453 1.00 55.32 H new ATOM 0 HG23 VAL A 104 -1.891 -13.456 -21.644 1.00 55.32 H new ATOM 1626 N ALA A 105 -1.812 -10.581 -17.801 1.00 21.25 N ATOM 1627 CA ALA A 105 -1.926 -9.137 -17.642 1.00 2.34 C ATOM 1628 C ALA A 105 -0.878 -8.408 -18.476 1.00 24.22 C ATOM 1629 O ALA A 105 0.037 -9.027 -19.021 1.00 22.53 O ATOM 1630 CB ALA A 105 -1.794 -8.755 -16.175 1.00 30.24 C ATOM 0 H ALA A 105 -1.647 -11.089 -16.932 1.00 21.25 H new ATOM 0 HA ALA A 105 -2.911 -8.834 -17.998 1.00 2.34 H new ATOM 0 HB1 ALA A 105 -1.881 -7.673 -16.071 1.00 30.24 H new ATOM 0 HB2 ALA A 105 -2.584 -9.239 -15.600 1.00 30.24 H new ATOM 0 HB3 ALA A 105 -0.823 -9.078 -15.801 1.00 30.24 H new ATOM 1636 N LEU A 106 -1.017 -7.091 -18.573 1.00 4.35 N ATOM 1637 CA LEU A 106 -0.081 -6.277 -19.342 1.00 33.13 C ATOM 1638 C LEU A 106 0.237 -4.976 -18.611 1.00 61.34 C ATOM 1639 O LEU A 106 -0.634 -4.378 -17.981 1.00 75.35 O ATOM 1640 CB LEU A 106 -0.659 -5.971 -20.725 1.00 0.34 C ATOM 1641 CG LEU A 106 0.341 -5.955 -21.881 1.00 41.22 C ATOM 1642 CD1 LEU A 106 1.338 -4.819 -21.710 1.00 14.14 C ATOM 1643 CD2 LEU A 106 1.064 -7.290 -21.980 1.00 34.41 C ATOM 0 H LEU A 106 -1.769 -6.563 -18.129 1.00 4.35 H new ATOM 0 HA LEU A 106 0.844 -6.842 -19.458 1.00 33.13 H new ATOM 0 HB2 LEU A 106 -1.429 -6.710 -20.947 1.00 0.34 H new ATOM 0 HB3 LEU A 106 -1.152 -5.000 -20.684 1.00 0.34 H new ATOM 0 HG LEU A 106 -0.209 -5.792 -22.808 1.00 41.22 H new ATOM 0 HD11 LEU A 106 2.042 -4.824 -22.542 1.00 14.14 H new ATOM 0 HD12 LEU A 106 0.806 -3.868 -21.690 1.00 14.14 H new ATOM 0 HD13 LEU A 106 1.882 -4.950 -20.775 1.00 14.14 H new ATOM 0 HD21 LEU A 106 1.772 -7.260 -22.808 1.00 34.41 H new ATOM 0 HD22 LEU A 106 1.601 -7.483 -21.051 1.00 34.41 H new ATOM 0 HD23 LEU A 106 0.338 -8.085 -22.152 1.00 34.41 H new ATOM 1655 N GLU A 107 1.491 -4.544 -18.703 1.00 12.21 N ATOM 1656 CA GLU A 107 1.923 -3.313 -18.052 1.00 11.23 C ATOM 1657 C GLU A 107 2.963 -2.585 -18.899 1.00 21.33 C ATOM 1658 O GLU A 107 4.141 -2.941 -18.895 1.00 1.03 O ATOM 1659 CB GLU A 107 2.499 -3.617 -16.667 1.00 71.12 C ATOM 1660 CG GLU A 107 3.586 -4.679 -16.680 1.00 51.21 C ATOM 1661 CD GLU A 107 4.930 -4.144 -16.225 1.00 15.44 C ATOM 1662 OE1 GLU A 107 4.996 -3.577 -15.113 1.00 61.43 O ATOM 1663 OE2 GLU A 107 5.914 -4.290 -16.979 1.00 31.53 O ATOM 0 H GLU A 107 2.224 -5.028 -19.221 1.00 12.21 H new ATOM 0 HA GLU A 107 1.053 -2.666 -17.942 1.00 11.23 H new ATOM 0 HB2 GLU A 107 2.905 -2.699 -16.242 1.00 71.12 H new ATOM 0 HB3 GLU A 107 1.692 -3.943 -16.011 1.00 71.12 H new ATOM 0 HG2 GLU A 107 3.290 -5.505 -16.033 1.00 51.21 H new ATOM 0 HG3 GLU A 107 3.682 -5.083 -17.688 1.00 51.21 H new ATOM 1670 N ALA A 108 2.518 -1.565 -19.625 1.00 12.15 N ATOM 1671 CA ALA A 108 3.409 -0.786 -20.475 1.00 60.24 C ATOM 1672 C ALA A 108 3.022 0.689 -20.471 1.00 63.20 C ATOM 1673 O ALA A 108 1.848 1.033 -20.332 1.00 60.31 O ATOM 1674 CB ALA A 108 3.395 -1.333 -21.895 1.00 70.40 C ATOM 0 H ALA A 108 1.545 -1.259 -19.641 1.00 12.15 H new ATOM 0 HA ALA A 108 4.419 -0.871 -20.074 1.00 60.24 H new ATOM 0 HB1 ALA A 108 4.065 -0.742 -22.519 1.00 70.40 H new ATOM 0 HB2 ALA A 108 3.727 -2.371 -21.888 1.00 70.40 H new ATOM 0 HB3 ALA A 108 2.383 -1.278 -22.296 1.00 70.40 H new ATOM 1680 N HIS A 109 4.017 1.557 -20.623 1.00 42.22 N ATOM 1681 CA HIS A 109 3.780 2.996 -20.637 1.00 4.43 C ATOM 1682 C HIS A 109 3.939 3.560 -22.046 1.00 34.13 C ATOM 1683 O HIS A 109 5.055 3.759 -22.522 1.00 44.20 O ATOM 1684 CB HIS A 109 4.744 3.702 -19.682 1.00 35.14 C ATOM 1685 CG HIS A 109 6.170 3.276 -19.846 1.00 71.41 C ATOM 1686 ND1 HIS A 109 6.693 2.149 -19.246 1.00 53.54 N ATOM 1687 CD2 HIS A 109 7.184 3.831 -20.550 1.00 23.24 C ATOM 1688 CE1 HIS A 109 7.967 2.031 -19.572 1.00 45.33 C ATOM 1689 NE2 HIS A 109 8.290 3.039 -20.363 1.00 25.10 N ATOM 0 H HIS A 109 4.994 1.289 -20.738 1.00 42.22 H new ATOM 0 HA HIS A 109 2.757 3.173 -20.307 1.00 4.43 H new ATOM 0 HB2 HIS A 109 4.675 4.778 -19.839 1.00 35.14 H new ATOM 0 HB3 HIS A 109 4.432 3.509 -18.656 1.00 35.14 H new ATOM 0 HD2 HIS A 109 7.133 4.729 -21.147 1.00 23.24 H new ATOM 0 HE1 HIS A 109 8.632 1.244 -19.247 1.00 45.33 H new ATOM 0 HE2 HIS A 109 9.211 3.202 -20.769 1.00 25.10 H new ATOM 1697 N GLU A 110 2.813 3.813 -22.706 1.00 42.24 N ATOM 1698 CA GLU A 110 2.828 4.352 -24.061 1.00 44.03 C ATOM 1699 C GLU A 110 1.481 4.976 -24.414 1.00 2.01 C ATOM 1700 O GLU A 110 0.454 4.630 -23.831 1.00 51.42 O ATOM 1701 CB GLU A 110 3.172 3.252 -25.068 1.00 22.14 C ATOM 1702 CG GLU A 110 2.494 1.924 -24.774 1.00 1.45 C ATOM 1703 CD GLU A 110 3.464 0.872 -24.273 1.00 1.14 C ATOM 1704 OE1 GLU A 110 4.414 1.238 -23.549 1.00 13.24 O ATOM 1705 OE2 GLU A 110 3.274 -0.317 -24.604 1.00 43.43 O ATOM 0 H GLU A 110 1.880 3.654 -22.325 1.00 42.24 H new ATOM 0 HA GLU A 110 3.592 5.128 -24.107 1.00 44.03 H new ATOM 0 HB2 GLU A 110 2.886 3.583 -26.067 1.00 22.14 H new ATOM 0 HB3 GLU A 110 4.252 3.105 -25.078 1.00 22.14 H new ATOM 0 HG2 GLU A 110 1.713 2.076 -24.029 1.00 1.45 H new ATOM 0 HG3 GLU A 110 2.006 1.561 -25.679 1.00 1.45 H new ATOM 1712 N MET A 111 1.495 5.898 -25.371 1.00 61.33 N ATOM 1713 CA MET A 111 0.275 6.570 -25.802 1.00 73.22 C ATOM 1714 C MET A 111 -0.482 5.723 -26.820 1.00 60.34 C ATOM 1715 O MET A 111 -1.707 5.622 -26.770 1.00 51.15 O ATOM 1716 CB MET A 111 0.605 7.937 -26.404 1.00 23.00 C ATOM 1717 CG MET A 111 -0.608 8.666 -26.958 1.00 2.50 C ATOM 1718 SD MET A 111 -0.511 8.921 -28.740 1.00 72.34 S ATOM 1719 CE MET A 111 0.360 10.484 -28.813 1.00 23.13 C ATOM 0 H MET A 111 2.337 6.197 -25.863 1.00 61.33 H new ATOM 0 HA MET A 111 -0.361 6.710 -24.928 1.00 73.22 H new ATOM 0 HB2 MET A 111 1.074 8.557 -25.640 1.00 23.00 H new ATOM 0 HB3 MET A 111 1.336 7.807 -27.202 1.00 23.00 H new ATOM 0 HG2 MET A 111 -1.507 8.096 -26.725 1.00 2.50 H new ATOM 0 HG3 MET A 111 -0.705 9.631 -26.461 1.00 2.50 H new ATOM 0 HE1 MET A 111 0.497 10.776 -29.854 1.00 23.13 H new ATOM 0 HE2 MET A 111 -0.220 11.248 -28.295 1.00 23.13 H new ATOM 0 HE3 MET A 111 1.334 10.381 -28.334 1.00 23.13 H new ATOM 1729 N GLY A 112 0.257 5.115 -27.744 1.00 73.11 N ATOM 1730 CA GLY A 112 -0.362 4.285 -28.761 1.00 34.01 C ATOM 1731 C GLY A 112 -1.104 3.102 -28.171 1.00 63.41 C ATOM 1732 O GLY A 112 -1.939 2.490 -28.837 1.00 33.44 O ATOM 0 H GLY A 112 1.273 5.183 -27.806 1.00 73.11 H new ATOM 0 HA2 GLY A 112 -1.055 4.889 -29.347 1.00 34.01 H new ATOM 0 HA3 GLY A 112 0.404 3.924 -29.447 1.00 34.01 H new ATOM 1736 N ASP A 113 -0.797 2.777 -26.920 1.00 10.41 N ATOM 1737 CA ASP A 113 -1.440 1.659 -26.240 1.00 61.34 C ATOM 1738 C ASP A 113 -2.916 1.951 -25.990 1.00 72.31 C ATOM 1739 O ASP A 113 -3.752 1.047 -26.019 1.00 75.21 O ATOM 1740 CB ASP A 113 -0.734 1.365 -24.916 1.00 23.20 C ATOM 1741 CG ASP A 113 -1.594 0.551 -23.969 1.00 62.24 C ATOM 1742 OD1 ASP A 113 -2.448 1.148 -23.282 1.00 3.41 O ATOM 1743 OD2 ASP A 113 -1.413 -0.684 -23.915 1.00 45.14 O ATOM 0 H ASP A 113 -0.106 3.272 -26.356 1.00 10.41 H new ATOM 0 HA ASP A 113 -1.366 0.783 -26.884 1.00 61.34 H new ATOM 0 HB2 ASP A 113 0.193 0.827 -25.114 1.00 23.20 H new ATOM 0 HB3 ASP A 113 -0.461 2.305 -24.437 1.00 23.20 H new ATOM 1748 N LEU A 114 -3.230 3.218 -25.743 1.00 64.24 N ATOM 1749 CA LEU A 114 -4.605 3.630 -25.487 1.00 34.43 C ATOM 1750 C LEU A 114 -5.204 4.321 -26.708 1.00 22.33 C ATOM 1751 O LEU A 114 -6.305 4.867 -26.646 1.00 44.44 O ATOM 1752 CB LEU A 114 -4.661 4.566 -24.278 1.00 73.31 C ATOM 1753 CG LEU A 114 -3.914 4.095 -23.030 1.00 1.43 C ATOM 1754 CD1 LEU A 114 -2.465 4.557 -23.069 1.00 73.33 C ATOM 1755 CD2 LEU A 114 -4.603 4.604 -21.772 1.00 54.11 C ATOM 0 H LEU A 114 -2.550 3.978 -25.715 1.00 64.24 H new ATOM 0 HA LEU A 114 -5.192 2.736 -25.275 1.00 34.43 H new ATOM 0 HB2 LEU A 114 -4.258 5.534 -24.574 1.00 73.31 H new ATOM 0 HB3 LEU A 114 -5.707 4.723 -24.014 1.00 73.31 H new ATOM 0 HG LEU A 114 -3.927 3.005 -23.012 1.00 1.43 H new ATOM 0 HD11 LEU A 114 -1.949 4.213 -22.173 1.00 73.33 H new ATOM 0 HD12 LEU A 114 -1.975 4.144 -23.951 1.00 73.33 H new ATOM 0 HD13 LEU A 114 -2.431 5.646 -23.111 1.00 73.33 H new ATOM 0 HD21 LEU A 114 -4.058 4.259 -20.894 1.00 54.11 H new ATOM 0 HD22 LEU A 114 -4.621 5.694 -21.783 1.00 54.11 H new ATOM 0 HD23 LEU A 114 -5.624 4.224 -21.737 1.00 54.11 H new